N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine

C14H26N2 — CID 137402789

IUPACN-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine
SMILESCC(N)C1CCCC(NC2C=CCCC2)C1
InChIInChI=1S/C14H26N2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h3,7,11-14,16H,2,4-6,8-10,15H2,1H3
InChIKeyNVQXMIPFNOWRCS-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.59
Rot. Bonds3

About N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine

N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine (PubChem CID 137402789) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine
PubChem CID137402789
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine
SMILESCC(N)C1CCCC(NC2C=CCCC2)C1
InChIInChI=1S/C14H26N2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h3,7,11-14,16H,2,4-6,8-10,15H2,1H3
InChIKeyNVQXMIPFNOWRCS-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[1,7-di(cyclohex-3-en-1-yl)heptan-4-ylamino]propyl]propane-1,3-diamine;hydrochloride
CID 90674841
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
4-[2,6-Bis(2-methyl-2-propen-1-yl)-1,2,3,6-tetrahydro-4-pyridinyl]-1,6-heptadien-4-amine
CID 5018062
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine
CID 375999
(2-Cyclohex-1-EN-1-ylethyl)(cyclohexylmethyl)amine
CID 1787863
N-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 102745
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
6-Fluoro-4-methyl-1,2,4a,5,6,7,8,8a-octahydroquinoline
CID 167204492

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine (CID 137402789) is N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine is CC(N)C1CCCC(NC2C=CCCC2)C1.
What is the InChIKey of N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine?
The InChIKey is NVQXMIPFNOWRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(15)12-6-5-9-14(10-12)16-13-7-3-2-4-8-13/h3,7,11-14,16H,2,4-6,8-10,15H2,1H3.
What are the key properties of N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine?
N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-aminoethyl)cyclohexyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 137402789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).