4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

C46H76N2 — CID 70651316

IUPAC4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESCCCCCCC1=CC(C2C=CC(C3C=CC(N)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C2C=CC(N)CC2)C(CC)C1
InChIInChI=1S/C46H76N2/c1-5-9-11-13-15-37-31-46(40-22-28-44(34(8-4)30-40)36-19-25-42(48)26-20-36)38(16-14-12-10-6-2)32-45(37)39-21-27-43(33(7-3)29-39)35-17-23-41(47)24-18-35/h17,19,21-23,25,27-28,31,33-36,38-46H,5-16,18,20,24,26,29-30,32,47-48H2,1-4H3
InChIKeyYUISMDNSDKGOES-UHFFFAOYSA-N
MW657.13 g/mol
LogP12.13
Rot. Bonds16

About 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine

4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (PubChem CID 70651316) has the molecular formula C46H76N2 and a molecular weight of 657.13 g/mol. Its IUPAC name is 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.

Molecular Properties

Compound Name4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
PubChem CID70651316
Molecular FormulaC46H76N2
Molecular Weight657.13 g/mol
Exact Mass656.60
IUPAC Name4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
SMILESCCCCCCC1=CC(C2C=CC(C3C=CC(N)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C2C=CC(N)CC2)C(CC)C1
InChIInChI=1S/C46H76N2/c1-5-9-11-13-15-37-31-46(40-22-28-44(34(8-4)30-40)36-19-25-42(48)26-20-36)38(16-14-12-10-6-2)32-45(37)39-21-27-43(33(7-3)29-39)35-17-23-41(47)24-18-35/h17,19,21-23,25,27-28,31,33-36,38-46H,5-16,18,20,24,26,29-30,32,47-48H2,1-4H3
InChIKeyYUISMDNSDKGOES-UHFFFAOYSA-N
XLogP12.13
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.13
LogP ≤ 512.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-cyclohex-3-en-1-ylcyclohex-3-en-1-yl)-4-[4-[4-[4-[(Z)-5-[[4-(cyclohexen-1-yl)cyclohexen-1-yl]amino]hept-3-en-2-yl]-5-ethylcyclohex-2-en-1-yl]-3,6-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine
CID 88875524
(1R,2S,3R,6S,7S)-4-nonyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 51015582
(1R,2R,3S,6R,7S)-4-undecyltricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 101071845
3-decylcyclopent-2-en-1-amine
CID 65174759
3-dodecylcyclopent-2-en-1-amine
CID 65174520
1-hexyl-1,2,3,3a,5,6,7,8a-octahydro-s-indacene
CID 153284642
3-pentylcyclopent-2-en-1-amine
CID 65174875
8-[6,7-dihexyl-2-(8-oxononyl)-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl]octanoic acid
CID 175618201
trans-(1S,2S)-1-ethyl-2-heptylcyclopentane
CID 175197427
2-nonylbicyclo[2.2.1]hepta-2,5-diene
CID 54345290
1,3-dihexylcyclopropene
CID 22621674
2-heptylcyclohexan-1-amine
CID 23132318

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The IUPAC name of 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine (CID 70651316) is 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine.
What is the SMILES notation for 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The canonical SMILES for 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is CCCCCCC1=CC(C2C=CC(C3C=CC(N)CC3)C(CC)C2)C(CCCCCC)CC1C1C=CC(C2C=CC(N)CC2)C(CC)C1.
What is the InChIKey of 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
The InChIKey is YUISMDNSDKGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H76N2/c1-5-9-11-13-15-37-31-46(40-22-28-44(34(8-4)30-40)36-19-25-42(48)26-20-36)38(16-14-12-10-6-2)32-45(37)39-21-27-43(33(7-3)29-39)35-17-23-41(47)24-18-35/h17,19,21-23,25,27-28,31,33-36,38-46H,5-16,18,20,24,26,29-30,32,47-48H2,1-4H3.
What are the key properties of 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine?
4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine has a molecular weight of 657.13 g/mol, XLogP of 12.13, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[4-(4-aminocyclohex-2-en-1-yl)-5-ethylcyclohex-2-en-1-yl]-2,5-dihexylcyclohex-2-en-1-yl]-6-ethylcyclohex-2-en-1-yl]cyclohex-2-en-1-amine is sourced from PubChem (CID 70651316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).