3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine

C16H27N3 — CID 117012473

IUPAC3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
SMILESCC(C)c1ccc(N2CCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C16H27N3/c1-13(2)14-5-7-15(8-6-14)19-10-9-16(11-17,12-19)18(3)4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyQNTSDURSCZXKBW-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.28
Rot. Bonds4

About 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine

3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine (PubChem CID 117012473) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
PubChem CID117012473
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
SMILESCC(C)c1ccc(N2CCC(CN)(N(C)C)C2)cc1
InChIInChI=1S/C16H27N3/c1-13(2)14-5-7-15(8-6-14)19-10-9-16(11-17,12-19)18(3)4/h5-8,13H,9-12,17H2,1-4H3
InChIKeyQNTSDURSCZXKBW-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012470
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
CID 117012738
3-(aminomethyl)-1-(2-chlorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 117012477
(3R)-3-(difluoromethyl)-3-methyl-1-(4-propan-2-ylphenyl)pyrrolidine
CID 165032426
4-(aminomethyl)-N-methyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820460
(3R)-3-(difluoromethyl)-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol
CID 164739379
3-(aminomethyl)-N,N-dimethyl-1-(1-phenylethyl)pyrrolidin-3-amine
CID 117012449
2-(4-propan-2-ylphenyl)-2,8-diazaspiro[4.5]decane
CID 82483749
2-[3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]acetic acid
CID 117013155
1-methyl-6-(4-propan-2-ylphenyl)-1,6-diazaspiro[3.3]heptane
CID 164739201
4-(aminomethyl)-N-ethyl-1-phenyl-N-propan-2-ylpiperidin-4-amine
CID 106820470
[1-(4-bromo-3-methylphenyl)-3-(dimethylamino)pyrrolidin-3-yl]methanol
CID 117012428

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine (CID 117012473) is 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine is CC(C)c1ccc(N2CCC(CN)(N(C)C)C2)cc1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine?
The InChIKey is QNTSDURSCZXKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)14-5-7-15(8-6-14)19-10-9-16(11-17,12-19)18(3)4/h5-8,13H,9-12,17H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine?
3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 117012473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).