3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine

C18H29N3 — CID 60985649

IUPAC3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
SMILESCN(CC1CC1)C1(CN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20(12-17-8-9-17)18(14-19)10-5-11-21(15-18)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15,19H2,1H3
InChIKeyNXIJFJIMWNWOML-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.32
Rot. Bonds6

About 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine

3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine (PubChem CID 60985649) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
PubChem CID60985649
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
SMILESCN(CC1CC1)C1(CN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3/c1-20(12-17-8-9-17)18(14-19)10-5-11-21(15-18)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15,19H2,1H3
InChIKeyNXIJFJIMWNWOML-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
CID 83693634
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
3-(aminomethyl)-1-benzyl-N-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
CID 43294664
3-(aminomethyl)-1-benzyl-N-(2-ethoxyethyl)-N-methylpyrrolidin-3-amine
CID 81035394
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
(1-benzyl-3-cyclopentylpyrrolidin-3-yl)methanamine
CID 83825709
(3S)-1-benzyl-3-methylpiperidine-3-thiol
CID 97176105
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine (CID 60985649) is 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine is CN(CC1CC1)C1(CN)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine?
The InChIKey is NXIJFJIMWNWOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20(12-17-8-9-17)18(14-19)10-5-11-21(15-18)13-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15,19H2,1H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine?
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 60985649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).