N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine

C12H24N2 — CID 130747583

IUPACN-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(N[C@@H](C)C2CCC2)CN1C
InChIInChI=1S/C12H24N2/c1-9-7-12(8-14(9)3)13-10(2)11-5-4-6-11/h9-13H,4-8H2,1-3H3/t9?,10-,12?/m0/s1
InChIKeyMSUUMMNTNOGLJO-YZRBJQDESA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds3

About N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine

N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 130747583) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID130747583
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(N[C@@H](C)C2CCC2)CN1C
InChIInChI=1S/C12H24N2/c1-9-7-12(8-14(9)3)13-10(2)11-5-4-6-11/h9-13H,4-8H2,1-3H3/t9?,10-,12?/m0/s1
InChIKeyMSUUMMNTNOGLJO-YZRBJQDESA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine (CID 130747583) is N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine is CC1CC(N[C@@H](C)C2CCC2)CN1C.
What is the InChIKey of N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is MSUUMMNTNOGLJO-YZRBJQDESA-N. The full InChI is InChI=1S/C12H24N2/c1-9-7-12(8-14(9)3)13-10(2)11-5-4-6-11/h9-13H,4-8H2,1-3H3/t9?,10-,12?/m0/s1.
What are the key properties of N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine?
N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutylethyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 130747583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).