2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine

C14H30N2 — CID 81011394

IUPAC2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCCC1C
InChIInChI=1S/C14H30N2/c1-11(2)9-15-10-12(3)14(5)16-8-6-7-13(16)4/h11-15H,6-10H2,1-5H3
InChIKeyACMRHKPVMGVBIF-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine

2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 81011394) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID81011394
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)N1CCCC1C
InChIInChI=1S/C14H30N2/c1-11(2)9-15-10-12(3)14(5)16-8-6-7-13(16)4/h11-15H,6-10H2,1-5H3
InChIKeyACMRHKPVMGVBIF-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415038
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81011984
2-methyl-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 79415139
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62437857
2-methyl-3-(2-methylazepan-1-yl)-N-propylbutan-1-amine
CID 79409081
2-methyl-N-(2-methylpropyl)-3-(4-propan-2-ylazepan-1-yl)butan-1-amine
CID 81018781
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62438040
N-tert-butyl-3-methyl-2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 62439520
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074
2-methyl-N-[2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]propan-1-amine
CID 79945546
2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887273
N-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79409085

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine (CID 81011394) is 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine is CC(C)CNCC(C)C(C)N1CCCC1C.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is ACMRHKPVMGVBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-11(2)9-15-10-12(3)14(5)16-8-6-7-13(16)4/h11-15H,6-10H2,1-5H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine?
2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 81011394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).