cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine

C10H19N — CID 121451353

IUPACcis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCN[C@@H]1CC[C@H]1CC=C(C)C
InChIInChI=1S/C10H19N/c1-8(2)4-5-9-6-7-10(9)11-3/h4,9-11H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyLHNLLYQOZPVKPN-NXEZZACHSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds3

About cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine

cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine (PubChem CID 121451353) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine
PubChem CID121451353
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Namecis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine
SMILESCN[C@@H]1CC[C@H]1CC=C(C)C
InChIInChI=1S/C10H19N/c1-8(2)4-5-9-6-7-10(9)11-3/h4,9-11H,5-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyLHNLLYQOZPVKPN-NXEZZACHSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine?
The IUPAC name of cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine (CID 121451353) is cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine.
What is the SMILES notation for cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine?
The canonical SMILES for cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine is CN[C@@H]1CC[C@H]1CC=C(C)C.
What is the InChIKey of cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine?
The InChIKey is LHNLLYQOZPVKPN-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)4-5-9-6-7-10(9)11-3/h4,9-11H,5-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine?
cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-methyl-2-(3-methylbut-2-enyl)cyclobutan-1-amine is sourced from PubChem (CID 121451353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).