4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine

C15H24ClN3 — CID 65377302

IUPAC4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(CN)(Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-2-19-10-5-8-15(12-17,9-11-19)18-14-7-4-3-6-13(14)16/h3-4,6-7,18H,2,5,8-12,17H2,1H3
InChIKeyRPTNVYHIVVBVFA-UHFFFAOYSA-N
MW281.83 g/mol
LogP2.96
Rot. Bonds4

About 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine

4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine (PubChem CID 65377302) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine
PubChem CID65377302
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine
SMILESCCN1CCCC(CN)(Nc2ccccc2Cl)CC1
InChIInChI=1S/C15H24ClN3/c1-2-19-10-5-8-15(12-17,9-11-19)18-14-7-4-3-6-13(14)16/h3-4,6-7,18H,2,5,8-12,17H2,1H3
InChIKeyRPTNVYHIVVBVFA-UHFFFAOYSA-N
XLogP2.96
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine (CID 65377302) is 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine is CCN1CCCC(CN)(Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine?
The InChIKey is RPTNVYHIVVBVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-2-19-10-5-8-15(12-17,9-11-19)18-14-7-4-3-6-13(14)16/h3-4,6-7,18H,2,5,8-12,17H2,1H3.
What are the key properties of 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine?
4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine has a molecular weight of 281.83 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-chlorophenyl)-1-ethylazepan-4-amine is sourced from PubChem (CID 65377302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).