2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine

C13H28N2 — CID 106976388

IUPAC2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCCC1(CNCC(C)CC)CCCN1
InChIInChI=1S/C13H28N2/c1-4-7-13(8-6-9-15-13)11-14-10-12(3)5-2/h12,14-15H,4-11H2,1-3H3
InChIKeyBQAMHMUCKBKNOU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.54
Rot. Bonds7

About 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine

2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine (PubChem CID 106976388) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
PubChem CID106976388
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
SMILESCCCC1(CNCC(C)CC)CCCN1
InChIInChI=1S/C13H28N2/c1-4-7-13(8-6-9-15-13)11-14-10-12(3)5-2/h12,14-15H,4-11H2,1-3H3
InChIKeyBQAMHMUCKBKNOU-UHFFFAOYSA-N
XLogP2.54
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethylpyrrolidin-2-yl)methyl]-2-methylbutan-1-amine
CID 83073024
2,2-dipropylpyrrolidine
CID 13332418
N-[(2-propylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 106976265
4-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]oxan-4-amine
CID 106976533
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
1-(3-bromothiophen-2-yl)-N-[(2-propylpyrrolidin-2-yl)methyl]methanamine
CID 106976495
2-(cyclopropylmethyl)-2-propylpyrrolidine
CID 66465576
2-ethyl-2-(2-methylpentyl)pyrrolidine
CID 66466921
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
2-methyl-N-[(2-methylthiolan-2-yl)methyl]butan-1-amine
CID 80722889
N,2-diethyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine
CID 106976307
2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 64599570

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The IUPAC name of 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine (CID 106976388) is 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine is CCCC1(CNCC(C)CC)CCCN1.
What is the InChIKey of 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
The InChIKey is BQAMHMUCKBKNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-7-13(8-6-9-15-13)11-14-10-12(3)5-2/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine?
2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-propylpyrrolidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 106976388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).