(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

C9H20N2 — CID 51624584

IUPAC(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)[C@@H](CN)N1CCCC1
InChIInChI=1S/C9H20N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyITOYOTJXYAOWBL-SECBINFHSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds3

About (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine

(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 51624584) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID51624584
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)[C@@H](CN)N1CCCC1
InChIInChI=1S/C9H20N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyITOYOTJXYAOWBL-SECBINFHSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
2-(8-azaspiro[4.5]decan-8-yl)-3-methylbutan-1-amine
CID 63157149
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
2-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-amine
CID 63156831
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butan-1-amine
CID 79677583
1-(1-amino-3-methylbutan-2-yl)azetidin-3-ol
CID 82415729
4-methyl-2-(4-methylazepan-1-yl)-3-propan-2-ylpentan-1-amine
CID 114281893
1-(1-amino-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 68572333
N-ethyl-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43207839
5-amino-4-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)pentanamide
CID 82012268
3-amino-2-methoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)propanamide
CID 106112457

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine (CID 51624584) is (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is CC(C)[C@@H](CN)N1CCCC1.
What is the InChIKey of (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is ITOYOTJXYAOWBL-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2/c1-8(2)9(7-10)11-5-3-4-6-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine?
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 51624584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).