3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine

C17H34N2 — CID 79051842

IUPAC3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H34N2/c1-4-11-18-16(14-15-9-10-15)17(2,3)19-12-7-5-6-8-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyWDYGOUGMNOUQBH-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.81
Rot. Bonds7

About 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine

3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine (PubChem CID 79051842) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
PubChem CID79051842
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine
SMILESCCCNC(CC1CC1)C(C)(C)N1CCCCCC1
InChIInChI=1S/C17H34N2/c1-4-11-18-16(14-15-9-10-15)17(2,3)19-12-7-5-6-8-13-19/h15-16,18H,4-14H2,1-3H3
InChIKeyWDYGOUGMNOUQBH-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine?
The IUPAC name of 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine (CID 79051842) is 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine.
What is the SMILES notation for 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine?
The canonical SMILES for 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine is CCCNC(CC1CC1)C(C)(C)N1CCCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine?
The InChIKey is WDYGOUGMNOUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-4-11-18-16(14-15-9-10-15)17(2,3)19-12-7-5-6-8-13-19/h15-16,18H,4-14H2,1-3H3.
What are the key properties of 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine?
3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-1-cyclopropyl-3-methyl-N-propylbutan-2-amine is sourced from PubChem (CID 79051842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).