N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine

C11H22N2 — CID 79003964

IUPACN'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
SMILESNCCCNCCC1=CCCCC1
InChIInChI=1S/C11H22N2/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10,12H2
InChIKeyZBONGVGBMDOBRM-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.82
Rot. Bonds6

About N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine

N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine (PubChem CID 79003964) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
PubChem CID79003964
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine
SMILESNCCCNCCC1=CCCCC1
InChIInChI=1S/C11H22N2/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10,12H2
InChIKeyZBONGVGBMDOBRM-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.82
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'}

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Related Compounds

4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
5-[2-(cyclohexen-1-yl)ethylamino]-N'-hydroxypentanimidamide
CID 77029656
N-[2-(cyclopenten-1-yl)ethyl]pentan-1-amine
CID 103096944
N-[2-(cyclopenten-1-yl)ethyl]hexan-1-amine
CID 106169004
2-(cyclohepten-1-yl)ethanamine;hydrochloride
CID 75421023
N'-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
N-[2-(cyclopenten-1-yl)ethyl]-4-phenylbutan-1-amine
CID 114153908
2-(cyclohexen-1-yl)-N-(2-thiophen-2-ylethyl)ethanamine
CID 63773625
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 103247876
N-[2-(cyclopenten-1-yl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 106174186
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
(E)-4-chloro-N-[2-(cyclohexen-1-yl)ethyl]but-2-en-1-amine
CID 81429274

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine (CID 79003964) is N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine is NCCCNCCC1=CCCCC1.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine?
The InChIKey is ZBONGVGBMDOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h5,13H,1-4,6-10,12H2.
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine?
N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexen-1-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 79003964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).