3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine

C18H31N3 — CID 43272761

IUPAC3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
SMILESCCC(C)N(C)C1(CN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-4-16(2)20(3)18(14-19)11-8-12-21(15-18)13-17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15,19H2,1-3H3
InChIKeyXQPOOZBRSOBOFE-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds6

About 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine

3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine (PubChem CID 43272761) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
PubChem CID43272761
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
SMILESCCC(C)N(C)C1(CN)CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-4-16(2)20(3)18(14-19)11-8-12-21(15-18)13-17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15,19H2,1-3H3
InChIKeyXQPOOZBRSOBOFE-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
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-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
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-(2-methoxyethyl)-N-methylpyrrolidin-3-amine
CID 61427796
3-(aminomethyl)-1-benzyl-N-but-3-yn-2-ylpiperidin-3-amine
CID 114416325
(3S)-1-benzyl-3-bromo-3-methylpiperidine
CID 97176093
9-benzyl-1-(2-methylpropyl)-1,9-diazaspiro[4.5]decane
CID 134070880
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
[1-benzyl-3-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 83825251

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine (CID 43272761) is 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine is CCC(C)N(C)C1(CN)CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine?
The InChIKey is XQPOOZBRSOBOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-16(2)20(3)18(14-19)11-8-12-21(15-18)13-17-9-6-5-7-10-17/h5-7,9-10,16H,4,8,11-15,19H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine?
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 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-butan-2-yl-N-methylpiperidin-3-amine is sourced from PubChem (CID 43272761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).