1-cycloheptyl-N-ethyl-3-methylpentan-1-amine

C15H31N — CID 65399965

IUPAC1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)C1CCCCCC1
InChIInChI=1S/C15H31N/c1-4-13(3)12-15(16-5-2)14-10-8-6-7-9-11-14/h13-16H,4-12H2,1-3H3
InChIKeyJKUJTWIOJFSOTP-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds6

About 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine

1-cycloheptyl-N-ethyl-3-methylpentan-1-amine (PubChem CID 65399965) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
PubChem CID65399965
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)C1CCCCCC1
InChIInChI=1S/C15H31N/c1-4-13(3)12-15(16-5-2)14-10-8-6-7-9-11-14/h13-16H,4-12H2,1-3H3
InChIKeyJKUJTWIOJFSOTP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1-cycloheptyl-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 105027808
1-(4-butylcyclohexyl)-N-ethyl-3-methylpentan-1-amine
CID 115846127
1-cyclopentyl-N-ethyl-4,6-dimethylheptan-1-amine
CID 114200352
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
N-ethyl-3-methyl-1-(3-methylsulfonylcyclohexyl)pentan-1-amine
CID 105014219
1-(1,1-dioxothiolan-3-yl)-N-ethyl-3-methylpentan-1-amine
CID 115336853
1-cyclopropyl-N-ethyl-4-methoxy-3-methylbutan-1-amine
CID 105157171
1-cyclopentyl-N-ethyl-4-methylhexan-2-amine
CID 115846177
1-cycloheptyl-N-ethyl-2-methoxyethanamine
CID 79574660

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine (CID 65399965) is 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine is CCNC(CC(C)CC)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine?
The InChIKey is JKUJTWIOJFSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-13(3)12-15(16-5-2)14-10-8-6-7-9-11-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine?
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 65399965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).