(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine

C12H24N2 — CID 178196781

IUPAC(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1C1(C)CCC1
InChIInChI=1S/C12H24N2/c1-9(2)14-8-5-10(13)11(14)12(3)6-4-7-12/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyLLTQPSMASVCLTF-QWRGUYRKSA-N
MW196.34 g/mol
LogP1.99
Rot. Bonds2

About (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine

(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 178196781) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID178196781
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@H](N)[C@H]1C1(C)CCC1
InChIInChI=1S/C12H24N2/c1-9(2)14-8-5-10(13)11(14)12(3)6-4-7-12/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1
InChIKeyLLTQPSMASVCLTF-QWRGUYRKSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-propan-2-yl-2-(trifluoromethyl)pyrrolidin-3-amine
CID 178196567
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(2S,3S)-1-propan-2-yl-2-(1H-pyrrol-2-yl)pyrrolidin-3-amine
CID 178196565
(2S,3R)-2-(1-methoxy-2-methylpropan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196736
O-(1-propan-2-ylpyrrolidin-2-yl)hydroxylamine
CID 117126766
(2R)-1-propan-2-ylpyrrolidine-2-carbaldehyde
CID 130787458
(2S,3S)-1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyrrolidin-3-amine
CID 178196710
(2R,3S)-2-(3-aminophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196704
(4aR,7aR)-4a-methyl-1-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 159821928
2-(3-cyclopropylphenyl)-1-propan-2-ylpiperidin-3-amine
CID 79977748
2-methyl-1-propan-2-ylazepane
CID 66910895
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine (CID 178196781) is (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC[C@H](N)[C@H]1C1(C)CCC1.
What is the InChIKey of (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is LLTQPSMASVCLTF-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)14-8-5-10(13)11(14)12(3)6-4-7-12/h9-11H,4-8,13H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine?
(2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-methylcyclobutyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 178196781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).