N-methyl-1-pyrrolidin-1-ylbutan-2-amine

C9H20N2 — CID 62039052

IUPACN-methyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCCC(CN1CCCC1)NC
InChIInChI=1S/C9H20N2/c1-3-9(10-2)8-11-6-4-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLESPMWLCDQHTEK-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds4

About N-methyl-1-pyrrolidin-1-ylbutan-2-amine

N-methyl-1-pyrrolidin-1-ylbutan-2-amine (PubChem CID 62039052) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-methyl-1-pyrrolidin-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-1-pyrrolidin-1-ylbutan-2-amine
PubChem CID62039052
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-methyl-1-pyrrolidin-1-ylbutan-2-amine
SMILESCCC(CN1CCCC1)NC
InChIInChI=1S/C9H20N2/c1-3-9(10-2)8-11-6-4-5-7-11/h9-10H,3-8H2,1-2H3
InChIKeyLESPMWLCDQHTEK-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 62997408
1-(4-butan-2-ylpiperazin-1-yl)-N-methylbutan-2-amine
CID 62774213
1-(azepan-1-yl)-3-methoxy-N-methylpropan-2-amine
CID 107505254
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
1-(3-methoxypyrrolidin-1-yl)-N-methylbutan-2-amine
CID 103532310
(2R)-N-methyl-1-phenyl-3-piperidin-1-ylpropan-2-amine
CID 101204001
N-ethyl-1-(4-methyl-1,4-diazepan-1-yl)butan-2-amine
CID 62038004
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
CID 104967146
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The IUPAC name of N-methyl-1-pyrrolidin-1-ylbutan-2-amine (CID 62039052) is N-methyl-1-pyrrolidin-1-ylbutan-2-amine.
What is the SMILES notation for N-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The canonical SMILES for N-methyl-1-pyrrolidin-1-ylbutan-2-amine is CCC(CN1CCCC1)NC.
What is the InChIKey of N-methyl-1-pyrrolidin-1-ylbutan-2-amine?
The InChIKey is LESPMWLCDQHTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-9(10-2)8-11-6-4-5-7-11/h9-10H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-pyrrolidin-1-ylbutan-2-amine?
N-methyl-1-pyrrolidin-1-ylbutan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-pyrrolidin-1-ylbutan-2-amine is sourced from PubChem (CID 62039052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).