3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine

C12H18N2 — CID 103562196

IUPAC3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
SMILESCC1CC(N[C@@H](C)c2ccncc2)C1
InChIInChI=1S/C12H18N2/c1-9-7-12(8-9)14-10(2)11-3-5-13-6-4-11/h3-6,9-10,12,14H,7-8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyNKRVHDCVCURKIL-YZRBJQDESA-N
MW190.29 g/mol
LogP2.53
Rot. Bonds3

About 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine

3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine (PubChem CID 103562196) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
PubChem CID103562196
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
SMILESCC1CC(N[C@@H](C)c2ccncc2)C1
InChIInChI=1S/C12H18N2/c1-9-7-12(8-9)14-10(2)11-3-5-13-6-4-11/h3-6,9-10,12,14H,7-8H2,1-2H3/t9?,10-,12?/m0/s1
InChIKeyNKRVHDCVCURKIL-YZRBJQDESA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562140
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
1,5-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-3-amine
CID 81467260
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723418
N-[(1R)-1-(4-fluorophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81348393
N-[1-(4-bromophenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64753603
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylcyclobutan-1-amine
CID 103562144
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
CID 81405604

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine (CID 103562196) is 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine is CC1CC(N[C@@H](C)c2ccncc2)C1.
What is the InChIKey of 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine?
The InChIKey is NKRVHDCVCURKIL-YZRBJQDESA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-12(8-9)14-10(2)11-3-5-13-6-4-11/h3-6,9-10,12,14H,7-8H2,1-2H3/t9?,10-,12?/m0/s1.
What are the key properties of 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine?
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine is sourced from PubChem (CID 103562196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).