3-methyl-1-pyrrolidin-3-ylbutan-1-amine

C9H20N2 — CID 82416019

IUPAC3-methyl-1-pyrrolidin-3-ylbutan-1-amine
SMILESCC(C)CC(N)C1CCNC1
InChIInChI=1S/C9H20N2/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9,11H,3-6,10H2,1-2H3
InChIKeyUYZITGBZFZWRLC-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.97
Rot. Bonds3

About 3-methyl-1-pyrrolidin-3-ylbutan-1-amine

3-methyl-1-pyrrolidin-3-ylbutan-1-amine (PubChem CID 82416019) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-methyl-1-pyrrolidin-3-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-1-pyrrolidin-3-ylbutan-1-amine
PubChem CID82416019
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-methyl-1-pyrrolidin-3-ylbutan-1-amine
SMILESCC(C)CC(N)C1CCNC1
InChIInChI=1S/C9H20N2/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9,11H,3-6,10H2,1-2H3
InChIKeyUYZITGBZFZWRLC-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-piperidin-3-ylbutan-1-amine
CID 82412260
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
3-methyl-1-pyrrolidin-3-ylbutan-1-ol
CID 78158472
4-methyl-2-piperidin-4-ylpentan-1-amine
CID 54593202
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
3-methyl-1-(oxan-4-yl)butan-1-amine
CID 63935057
1-pyrrolidin-3-ylethanamine;triethoxysilane
CID 173046931
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
4-(1-amino-3-methylbutyl)-N-methylcyclohexan-1-amine
CID 116937215
ethyl 2-amino-2-pyrrolidin-3-ylethanedithioate
CID 173330361
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
2-pyrrolidin-3-ylbutan-1-amine
CID 82594434

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyrrolidin-3-ylbutan-1-amine?
The IUPAC name of 3-methyl-1-pyrrolidin-3-ylbutan-1-amine (CID 82416019) is 3-methyl-1-pyrrolidin-3-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-1-pyrrolidin-3-ylbutan-1-amine?
The canonical SMILES for 3-methyl-1-pyrrolidin-3-ylbutan-1-amine is CC(C)CC(N)C1CCNC1.
What is the InChIKey of 3-methyl-1-pyrrolidin-3-ylbutan-1-amine?
The InChIKey is UYZITGBZFZWRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-7(2)5-9(10)8-3-4-11-6-8/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 3-methyl-1-pyrrolidin-3-ylbutan-1-amine?
3-methyl-1-pyrrolidin-3-ylbutan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyrrolidin-3-ylbutan-1-amine is sourced from PubChem (CID 82416019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).