1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine

C16H31N — CID 105027980

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)C1C2CCCCC21
InChIInChI=1S/C16H31N/c1-4-12(5-2)11-15(17-6-3)16-13-9-7-8-10-14(13)16/h12-17H,4-11H2,1-3H3
InChIKeyVIZBOCARPFBOJH-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds7

About 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine

1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine (PubChem CID 105027980) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine
PubChem CID105027980
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine
SMILESCCNC(CC(CC)CC)C1C2CCCCC21
InChIInChI=1S/C16H31N/c1-4-12(5-2)11-15(17-6-3)16-13-9-7-8-10-14(13)16/h12-17H,4-11H2,1-3H3
InChIKeyVIZBOCARPFBOJH-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039219
1-(6-bicyclo[3.1.0]hexanyl)-N-ethyloctan-1-amine
CID 115832332
1-cyclobutyl-N,3-diethylheptan-1-amine
CID 64987044
1-(6-bicyclo[3.1.0]hexanyl)-N,3-dimethylpentan-1-amine
CID 115846091
1-(7-bicyclo[4.1.0]heptanyl)-2-(3,5-difluorophenyl)-N-ethylethanamine
CID 105412597
1-cyclopropyl-3-ethyl-N-methylpentan-1-amine
CID 82922957
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-(7-bicyclo[4.1.0]heptanyl)-2-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843516
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245
1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
1-(7-bicyclo[4.1.0]heptanyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105034823

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine (CID 105027980) is 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine is CCNC(CC(CC)CC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine?
The InChIKey is VIZBOCARPFBOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-4-12(5-2)11-15(17-6-3)16-13-9-7-8-10-14(13)16/h12-17H,4-11H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine?
1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-N,3-diethylpentan-1-amine is sourced from PubChem (CID 105027980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).