N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine

C17H34N2 — CID 65078150

IUPACN-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCC(CC)C2C)CC1
InChIInChI=1S/C17H34N2/c1-4-11-19-12-6-7-16(10-13-19)18-17-9-8-15(5-2)14(17)3/h14-18H,4-13H2,1-3H3
InChIKeyJZKWFCZNDVVOMY-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds5

About N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine

N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine (PubChem CID 65078150) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
PubChem CID65078150
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(NC2CCC(CC)C2C)CC1
InChIInChI=1S/C17H34N2/c1-4-11-19-12-6-7-16(10-13-19)18-17-9-8-15(5-2)14(17)3/h14-18H,4-13H2,1-3H3
InChIKeyJZKWFCZNDVVOMY-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine (CID 65078150) is N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine is CCCN1CCCC(NC2CCC(CC)C2C)CC1.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine?
The InChIKey is JZKWFCZNDVVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-19-12-6-7-16(10-13-19)18-17-9-8-15(5-2)14(17)3/h14-18H,4-13H2,1-3H3.
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine?
N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65078150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).