N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine

C32H48N2 — CID 143683841

IUPACN-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine
SMILESC=C=C(C1N=CC(C)C1C)N(CCC(C)C1=CCC=C2CCCCC2=C1)C1CCC(CC)CC1
InChIInChI=1S/C32H48N2/c1-6-26-15-17-30(18-16-26)34(31(7-2)32-25(5)24(4)22-33-32)20-19-23(3)28-14-10-13-27-11-8-9-12-29(27)21-28/h13-14,21-26,30,32H,2,6,8-12,15-20H2,1,3-5H3
InChIKeyFLRAWFAMNOPFMK-UHFFFAOYSA-N
MW460.75 g/mol
LogP8.43
Rot. Bonds8

About N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine

N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine (PubChem CID 143683841) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine
PubChem CID143683841
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC NameN-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine
SMILESC=C=C(C1N=CC(C)C1C)N(CCC(C)C1=CCC=C2CCCCC2=C1)C1CCC(CC)CC1
InChIInChI=1S/C32H48N2/c1-6-26-15-17-30(18-16-26)34(31(7-2)32-25(5)24(4)22-33-32)20-19-23(3)28-14-10-13-27-11-8-9-12-29(27)21-28/h13-14,21-26,30,32H,2,6,8-12,15-20H2,1,3-5H3
InChIKeyFLRAWFAMNOPFMK-UHFFFAOYSA-N
XLogP8.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[1-(3H-azepin-6-yl)ethyl]-N,4-dimethylcyclohexan-1-amine;ethane
CID 144734935
(E,3Z,4E,8Z)-5-ethenyl-3-ethylidene-8-[2-(5-methyl-1-oct-7-en-4-yl-3,6-dihydro-2H-pyridin-4-yl)ethylidene]-4-[(Z)-pent-2-enylidene]-N-prop-1-en-2-yldodec-9-en-1-imine
CID 173815931

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine?
The IUPAC name of N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine (CID 143683841) is N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine.
What is the SMILES notation for N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine?
The canonical SMILES for N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine is C=C=C(C1N=CC(C)C1C)N(CCC(C)C1=CCC=C2CCCCC2=C1)C1CCC(CC)CC1.
What is the InChIKey of N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine?
The InChIKey is FLRAWFAMNOPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2/c1-6-26-15-17-30(18-16-26)34(31(7-2)32-25(5)24(4)22-33-32)20-19-23(3)28-14-10-13-27-11-8-9-12-29(27)21-28/h13-14,21-26,30,32H,2,6,8-12,15-20H2,1,3-5H3.
What are the key properties of N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine?
N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine has a molecular weight of 460.75 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethyl-3,4-dihydro-2H-pyrrol-2-yl)propa-1,2-dienyl]-4-ethyl-N-[3-(2,3,4,8-tetrahydro-1H-benzo[7]annulen-6-yl)butyl]cyclohexan-1-amine is sourced from PubChem (CID 143683841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).