1-benzylazepan-4-amine

C13H20N2 — CID 18946188

IUPAC1-benzylazepan-4-amine
SMILESNC1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChIKeyAWOBBFYDHSJOIL-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds2

About 1-benzylazepan-4-amine

1-benzylazepan-4-amine (PubChem CID 18946188) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-benzylazepan-4-amine.

Molecular Properties

Compound Name1-benzylazepan-4-amine
PubChem CID18946188
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-benzylazepan-4-amine
SMILESNC1CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChIKeyAWOBBFYDHSJOIL-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1,1-Dimethylethyl)benzenemethanamine
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Bis(alpha-methylbenzyl)amine
CID 24804
2,3,4,5-tetrahydro-1H-2-benzazepine
CID 10464472
N-Benzyl-N-methylpiperidin-4-amine--hydrogen chloride (1/1)
CID 24746773
2-Phenylpyrrolidine
CID 261892

Frequently Asked Questions

What is the IUPAC name of 1-benzylazepan-4-amine?
The IUPAC name of 1-benzylazepan-4-amine (CID 18946188) is 1-benzylazepan-4-amine.
What is the SMILES notation for 1-benzylazepan-4-amine?
The canonical SMILES for 1-benzylazepan-4-amine is NC1CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzylazepan-4-amine?
The InChIKey is AWOBBFYDHSJOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c14-13-7-4-9-15(10-8-13)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2.
What are the key properties of 1-benzylazepan-4-amine?
1-benzylazepan-4-amine has a molecular weight of 204.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylazepan-4-amine is sourced from PubChem (CID 18946188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).