3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine

C22H39N3 — CID 112742877

IUPAC3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C22H39N3/c1-6-21(7-2)25(14-18(3)4)22(16-23)13-19(5)24(17-22)15-20-11-9-8-10-12-20/h8-12,18-19,21H,6-7,13-17,23H2,1-5H3
InChIKeyYZDVPYWIXMVTPQ-UHFFFAOYSA-N
MW345.57 g/mol
LogP4.12
Rot. Bonds9

About 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine

3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine (PubChem CID 112742877) has the molecular formula C22H39N3 and a molecular weight of 345.57 g/mol. Its IUPAC name is 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine
PubChem CID112742877
Molecular FormulaC22H39N3
Molecular Weight345.57 g/mol
Exact Mass345.31
IUPAC Name3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine
SMILESCCC(CC)N(CC(C)C)C1(CN)CC(C)N(Cc2ccccc2)C1
InChIInChI=1S/C22H39N3/c1-6-21(7-2)25(14-18(3)4)22(16-23)13-19(5)24(17-22)15-20-11-9-8-10-12-20/h8-12,18-19,21H,6-7,13-17,23H2,1-5H3
InChIKeyYZDVPYWIXMVTPQ-UHFFFAOYSA-N
XLogP4.12
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-1-benzyl-N,N,5-trimethylpyrrolidin-3-amine
CID 130528368
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpyrrolidin-3-amine
CID 43272771
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
4-(aminomethyl)-1-ethyl-N-(2-methylpropyl)-N-pentan-3-ylpiperidin-4-amine
CID 79483196
3-(aminomethyl)-1-benzyl-N-butan-2-yl-N-methylpiperidin-3-amine
CID 43272761
[1-benzyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrrolidin-3-yl]methanamine
CID 112742858
4-(aminomethyl)-1-methyl-N-(2-methylpropyl)-N-pentan-3-ylazepan-4-amine
CID 79484107
3-(aminomethyl)-N-ethyl-1,5-dimethyl-N-phenylpyrrolidin-3-amine
CID 81467474
7-benzyl-8-methyl-1-oxa-7-azaspiro[4.4]nonan-3-one
CID 164646664
3-(aminomethyl)-N-butan-2-yl-N-butyl-1,5-dimethylpyrrolidin-3-amine
CID 81468809
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine (CID 112742877) is 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine is CCC(CC)N(CC(C)C)C1(CN)CC(C)N(Cc2ccccc2)C1.
What is the InChIKey of 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine?
The InChIKey is YZDVPYWIXMVTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3/c1-6-21(7-2)25(14-18(3)4)22(16-23)13-19(5)24(17-22)15-20-11-9-8-10-12-20/h8-12,18-19,21H,6-7,13-17,23H2,1-5H3.
What are the key properties of 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine?
3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine has a molecular weight of 345.57 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-benzyl-5-methyl-N-(2-methylpropyl)-N-pentan-3-ylpyrrolidin-3-amine is sourced from PubChem (CID 112742877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).