1-benzyl-N-(cyclopropylmethyl)azepan-3-amine

C17H26N2 — CID 83488648

IUPAC1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
SMILESc1ccc(CN2CCCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)13-19-11-5-4-8-17(14-19)18-12-15-9-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyZXDBIOWFOURWKY-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.04
Rot. Bonds5

About 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine

1-benzyl-N-(cyclopropylmethyl)azepan-3-amine (PubChem CID 83488648) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine.

Molecular Properties

Compound Name1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
PubChem CID83488648
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-benzyl-N-(cyclopropylmethyl)azepan-3-amine
SMILESc1ccc(CN2CCCCC(NCC3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-2-6-16(7-3-1)13-19-11-5-4-8-17(14-19)18-12-15-9-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2
InChIKeyZXDBIOWFOURWKY-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
1-benzyl-N-(2-fluoroethyl)piperidin-3-amine
CID 80695683
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
(3S)-1-benzyl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]piperidin-3-amine
CID 136811971
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]thian-4-amine
CID 95143520
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
1-benzyl-N-(2-cyclobutylethyl)pyrrolidin-3-amine
CID 115690185
3-[(1-benzylpiperidin-3-yl)amino]propane-1,2-diol
CID 66177195
1-[[(1-benzylpiperidin-3-yl)amino]methyl]cyclopentan-1-ol
CID 65105573

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine?
The IUPAC name of 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine (CID 83488648) is 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine.
What is the SMILES notation for 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine?
The canonical SMILES for 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine is c1ccc(CN2CCCCC(NCC3CC3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine?
The InChIKey is ZXDBIOWFOURWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-6-16(7-3-1)13-19-11-5-4-8-17(14-19)18-12-15-9-10-15/h1-3,6-7,15,17-18H,4-5,8-14H2.
What are the key properties of 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine?
1-benzyl-N-(cyclopropylmethyl)azepan-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(cyclopropylmethyl)azepan-3-amine is sourced from PubChem (CID 83488648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).