3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine

C18H31N3 — CID 43294664

IUPAC3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
SMILESCCCCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-3-4-8-12-20(2)18(15-19)11-13-21(16-18)14-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3
InChIKeyOHKAAUQVBUPVBL-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.71
Rot. Bonds8

About 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine (PubChem CID 43294664) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
PubChem CID43294664
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine
SMILESCCCCCN(C)C1(CN)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H31N3/c1-3-4-8-12-20(2)18(15-19)11-13-21(16-18)14-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3
InChIKeyOHKAAUQVBUPVBL-UHFFFAOYSA-N
XLogP2.71
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-1-benzyl-N-methyl-N-propylpiperidin-3-amine
CID 43271053
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-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
N'-[4-(aminomethyl)-1-benzylpiperidin-4-yl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 113227822
3-(aminomethyl)-1-benzyl-N-(cyclopropylmethyl)-N-methylpiperidin-3-amine
CID 60985649
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
3-(2-aminoethyl)-1-benzyl-N,N-dimethylpiperidin-3-amine
CID 83693634
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
3-(aminomethyl)-N-benzyl-N,1-dimethylpyrrolidin-3-amine
CID 62975093
4-(aminomethyl)-N-benzyl-N-methyl-1-propylazepan-4-amine
CID 65078408
2-[1-benzyl-3-(diethylamino)pyrrolidin-3-yl]acetic acid
CID 64529144

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine (CID 43294664) is 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine is CCCCCN(C)C1(CN)CCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine?
The InChIKey is OHKAAUQVBUPVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-4-8-12-20(2)18(15-19)11-13-21(16-18)14-17-9-6-5-7-10-17/h5-7,9-10H,3-4,8,11-16,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-N-methyl-N-pentylpyrrolidin-3-amine has a molecular weight of 289.47 g/mol, XLogP of 2.71, 8 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-methyl-N-pentylpyrrolidin-3-amine is sourced from PubChem (CID 43294664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).