N-(1-cyclopropylbutan-2-yl)azepan-4-amine

C13H26N2 — CID 103982184

IUPACN-(1-cyclopropylbutan-2-yl)azepan-4-amine
SMILESCCC(CC1CC1)NC1CCCNCC1
InChIInChI=1S/C13H26N2/c1-2-12(10-11-5-6-11)15-13-4-3-8-14-9-7-13/h11-15H,2-10H2,1H3
InChIKeyJYPDNSVSTJBGTQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.30
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)azepan-4-amine

N-(1-cyclopropylbutan-2-yl)azepan-4-amine (PubChem CID 103982184) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)azepan-4-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)azepan-4-amine
PubChem CID103982184
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(1-cyclopropylbutan-2-yl)azepan-4-amine
SMILESCCC(CC1CC1)NC1CCCNCC1
InChIInChI=1S/C13H26N2/c1-2-12(10-11-5-6-11)15-13-4-3-8-14-9-7-13/h11-15H,2-10H2,1H3
InChIKeyJYPDNSVSTJBGTQ-UHFFFAOYSA-N
XLogP2.30
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)azepan-4-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)azepan-4-amine (CID 103982184) is N-(1-cyclopropylbutan-2-yl)azepan-4-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)azepan-4-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)azepan-4-amine is CCC(CC1CC1)NC1CCCNCC1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)azepan-4-amine?
The InChIKey is JYPDNSVSTJBGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-12(10-11-5-6-11)15-13-4-3-8-14-9-7-13/h11-15H,2-10H2,1H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)azepan-4-amine?
N-(1-cyclopropylbutan-2-yl)azepan-4-amine has a molecular weight of 210.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)azepan-4-amine is sourced from PubChem (CID 103982184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).