1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine

C17H26N2 — CID 83913262

IUPAC1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2/c18-17(9-10-17)13-15-7-4-11-19(12-8-15)14-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14,18H2
InChIKeyGHWMVMYJBSIAPV-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds4

About 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine

1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine (PubChem CID 83913262) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine
PubChem CID83913262
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine
SMILESNC1(CC2CCCN(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N2/c18-17(9-10-17)13-15-7-4-11-19(12-8-15)14-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14,18H2
InChIKeyGHWMVMYJBSIAPV-UHFFFAOYSA-N
XLogP3.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
(1-benzylazepan-3-yl)methanamine
CID 15718476
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
1-benzyl-4-(fluoromethyl)azepan-4-amine
CID 115041654
1-benzylazepane
CID 10954328
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
[(3S)-1-(1-benzylpiperidin-4-yl)piperidin-3-yl]methanamine
CID 27440328

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine (CID 83913262) is 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine is NC1(CC2CCCN(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine?
The InChIKey is GHWMVMYJBSIAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c18-17(9-10-17)13-15-7-4-11-19(12-8-15)14-16-5-2-1-3-6-16/h1-3,5-6,15H,4,7-14,18H2.
What are the key properties of 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine?
1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 83913262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).