7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol

C19H35NO — CID 123172681

IUPAC7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol
SMILESOCCCC=CCCN(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C19H35NO/c21-15-9-3-1-2-8-14-20(16-18-10-4-5-11-18)17-19-12-6-7-13-19/h1-2,18-19,21H,3-17H2
InChIKeyAIHMUHUQGNCIKW-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.39
Rot. Bonds10

About 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol

7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol (PubChem CID 123172681) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol.

Molecular Properties

Compound Name7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol
PubChem CID123172681
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol
SMILESOCCCC=CCCN(CC1CCCC1)CC1CCCC1
InChIInChI=1S/C19H35NO/c21-15-9-3-1-2-8-14-20(16-18-10-4-5-11-18)17-19-12-6-7-13-19/h1-2,18-19,21H,3-17H2
InChIKeyAIHMUHUQGNCIKW-UHFFFAOYSA-N
XLogP4.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
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

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CID 115593687
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3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
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4-[cyclohexylmethyl(propyl)amino]butan-1-ol
CID 110931716
2-[cyclohexylmethyl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 120849278
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
N'-(cyclohexylmethyl)-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2055566
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
8-cyclopentyloctan-1-ol
CID 19083491
4-cycloheptylbutan-1-ol
CID 54439965
3-[2-cyclopentylethyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 111461931
N,N-bis(cyclopentylmethyl)-2-propoxyethanamine
CID 162289778

Frequently Asked Questions

What is the IUPAC name of 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol?
The IUPAC name of 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol (CID 123172681) is 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol.
What is the SMILES notation for 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol?
The canonical SMILES for 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol is OCCCC=CCCN(CC1CCCC1)CC1CCCC1.
What is the InChIKey of 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol?
The InChIKey is AIHMUHUQGNCIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c21-15-9-3-1-2-8-14-20(16-18-10-4-5-11-18)17-19-12-6-7-13-19/h1-2,18-19,21H,3-17H2.
What are the key properties of 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol?
7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[bis(cyclopentylmethyl)amino]hept-4-en-1-ol is sourced from PubChem (CID 123172681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).