cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine

C14H21N — CID 162470149

IUPACcis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine
SMILESCCN[C@H]1CC[C@H]1c1cc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-4-15-14-6-5-13(14)12-8-10(2)7-11(3)9-12/h7-9,13-15H,4-6H2,1-3H3/t13-,14-/m0/s1
InChIKeySGCHPMDXGOLLKP-KBPBESRZSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds3

About cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine

cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine (PubChem CID 162470149) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine
PubChem CID162470149
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Namecis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine
SMILESCCN[C@H]1CC[C@H]1c1cc(C)cc(C)c1
InChIInChI=1S/C14H21N/c1-4-15-14-6-5-13(14)12-8-10(2)7-11(3)9-12/h7-9,13-15H,4-6H2,1-3H3/t13-,14-/m0/s1
InChIKeySGCHPMDXGOLLKP-KBPBESRZSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine?
The IUPAC name of cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine (CID 162470149) is cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine?
The canonical SMILES for cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine is CCN[C@H]1CC[C@H]1c1cc(C)cc(C)c1.
What is the InChIKey of cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine?
The InChIKey is SGCHPMDXGOLLKP-KBPBESRZSA-N. The full InChI is InChI=1S/C14H21N/c1-4-15-14-6-5-13(14)12-8-10(2)7-11(3)9-12/h7-9,13-15H,4-6H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine?
cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-(3,5-dimethylphenyl)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 162470149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).