N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine

C15H32N2 — CID 64570168

IUPACN-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
SMILESCCCCN(CC1CCCCCN1)C(C)CC
InChIInChI=1S/C15H32N2/c1-4-6-12-17(14(3)5-2)13-15-10-8-7-9-11-16-15/h14-16H,4-13H2,1-3H3
InChIKeyFDYJZIHHHYEMNV-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

About N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine

N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine (PubChem CID 64570168) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
PubChem CID64570168
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
SMILESCCCCN(CC1CCCCCN1)C(C)CC
InChIInChI=1S/C15H32N2/c1-4-6-12-17(14(3)5-2)13-15-10-8-7-9-11-16-15/h14-16H,4-13H2,1-3H3
InChIKeyFDYJZIHHHYEMNV-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-2-ylmethyl)-N-propyloctan-2-amine
CID 106623511
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-butyl-N-(pyrrolidin-2-ylmethyl)pent-1-yn-3-amine
CID 106616774
N-(piperidin-2-ylmethyl)-N-propylpent-1-yn-3-amine
CID 106635971
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
2-[piperidin-2-ylmethyl(propyl)amino]butanenitrile
CID 106635857
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-ethyl-N-(3-pyrrolidin-2-ylpropyl)butan-2-amine
CID 62479230
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine?
The IUPAC name of N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine (CID 64570168) is N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine.
What is the SMILES notation for N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine?
The canonical SMILES for N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine is CCCCN(CC1CCCCCN1)C(C)CC.
What is the InChIKey of N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine?
The InChIKey is FDYJZIHHHYEMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-6-12-17(14(3)5-2)13-15-10-8-7-9-11-16-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine?
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine is sourced from PubChem (CID 64570168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).