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

C13H28N2 — CID 62437857

IUPACN-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(10-14-9-11(2)3)15-8-6-7-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyFSVTTWBAUNOSGP-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds6

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

N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine (PubChem CID 62437857) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
PubChem CID62437857
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine
SMILESCCC(CNCC(C)C)N1CCCC1C
InChIInChI=1S/C13H28N2/c1-5-13(10-14-9-11(2)3)15-8-6-7-12(15)4/h11-14H,5-10H2,1-4H3
InChIKeyFSVTTWBAUNOSGP-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methylpropyl)-3-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 81011394
N-ethyl-2-(2-methylpyrrolidin-1-yl)pentan-1-amine
CID 83043110
2-(2-methylpyrrolidin-1-yl)butan-1-amine
CID 60973442
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 83054886
2-(2,3-dimethylpiperidin-1-yl)-N-ethylbutan-1-amine
CID 62413504
2-(azepan-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62437423
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 83221715
2-methyl-N-[2-(2-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887273
2-(2-cyclopentylpyrrolidin-1-yl)-N-ethylbutan-1-amine
CID 62431511
1-butan-2-yl-2-methylpyrrolidine;ethane
CID 166157977
N-[2-(2-ethylpyrrolidin-1-yl)propyl]-2-methylpropan-1-amine
CID 62438040
2-methyl-1-(2-methylpentan-3-yl)piperidine
CID 89179224

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine (CID 62437857) is N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine is CCC(CNCC(C)C)N1CCCC1C.
What is the InChIKey of N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
The InChIKey is FSVTTWBAUNOSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-13(10-14-9-11(2)3)15-8-6-7-12(15)4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine?
N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-methylpyrrolidin-1-yl)butan-1-amine is sourced from PubChem (CID 62437857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).