3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine

C10H19N — CID 131248317

IUPAC3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine
SMILESCC/C=C/CNC1CC(C)C1
InChIInChI=1S/C10H19N/c1-3-4-5-6-11-10-7-9(2)8-10/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+
InChIKeyATDBKCRPLUSMHM-SNAWJCMRSA-N
MW153.27 g/mol
LogP2.34
Rot. Bonds4

About 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine

3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine (PubChem CID 131248317) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine
PubChem CID131248317
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine
SMILESCC/C=C/CNC1CC(C)C1
InChIInChI=1S/C10H19N/c1-3-4-5-6-11-10-7-9(2)8-10/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+
InChIKeyATDBKCRPLUSMHM-SNAWJCMRSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Related Compounds

N-[(E)-4-chlorobut-2-enyl]-3,5-dimethylcyclohexan-1-amine
CID 81430849
N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64722982
N,3-diethyl-5-methylcyclohexan-1-amine;ethane
CID 144914242
N-[(1-ethylcyclopentyl)methyl]-3-methylcyclobutan-1-amine
CID 104859882
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
2-[(3,5-dimethylcyclohexyl)amino]ethanol
CID 64723200
N-[(E)-but-2-enyl]-2-methylcyclopropan-1-amine
CID 107898933
3-ethyl-N,5-dimethylcyclohexan-1-amine
CID 143338099
3-[[(3R,5S)-3,5-dimethylcyclohexyl]amino]propan-1-ol
CID 96732218
N-(3-ethylsulfonylpropyl)-3,5-dimethylcyclohexan-1-amine
CID 65093543
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine?
The IUPAC name of 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine (CID 131248317) is 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine?
The canonical SMILES for 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine is CC/C=C/CNC1CC(C)C1.
What is the InChIKey of 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine?
The InChIKey is ATDBKCRPLUSMHM-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H19N/c1-3-4-5-6-11-10-7-9(2)8-10/h4-5,9-11H,3,6-8H2,1-2H3/b5-4+.
What are the key properties of 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine?
3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine has a molecular weight of 153.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(E)-pent-2-enyl]cyclobutan-1-amine is sourced from PubChem (CID 131248317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).