3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine

C16H27N3 — CID 81468493

IUPAC3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN(C)C2(CN)CC(C)N(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-13-5-7-15(8-6-13)10-19(4)16(11-17)9-14(2)18(3)12-16/h5-8,14H,9-12,17H2,1-4H3
InChIKeyFNXBKZUJELXCGM-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.85
Rot. Bonds4

About 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine

3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine (PubChem CID 81468493) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
PubChem CID81468493
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine
SMILESCc1ccc(CN(C)C2(CN)CC(C)N(C)C2)cc1
InChIInChI=1S/C16H27N3/c1-13-5-7-15(8-6-13)10-19(4)16(11-17)9-14(2)18(3)12-16/h5-8,14H,9-12,17H2,1-4H3
InChIKeyFNXBKZUJELXCGM-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine (CID 81468493) is 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine is Cc1ccc(CN(C)C2(CN)CC(C)N(C)C2)cc1.
What is the InChIKey of 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is FNXBKZUJELXCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-5-7-15(8-6-13)10-19(4)16(11-17)9-14(2)18(3)12-16/h5-8,14H,9-12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine?
3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,1,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 81468493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).