N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine

C9H17N — CID 130672837

IUPACN-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
SMILESC=CCC1(CNC)CCC1
InChIInChI=1S/C9H17N/c1-3-5-9(8-10-2)6-4-7-9/h3,10H,1,4-8H2,2H3
InChIKeyWOZHBSJYXAIMSG-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds4

About N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine

N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine (PubChem CID 130672837) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
PubChem CID130672837
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
SMILESC=CCC1(CNC)CCC1
InChIInChI=1S/C9H17N/c1-3-5-9(8-10-2)6-4-7-9/h3,10H,1,4-8H2,2H3
InChIKeyWOZHBSJYXAIMSG-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
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

1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
1-[1-(chloromethyl)cyclobutyl]-N-methylmethanamine
CID 130744589
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
dimethyl-[(1-prop-2-enylcyclobutyl)methoxy]silane
CID 175444338
1-(1-ethylcyclohexyl)-N-methylmethanamine;formaldehyde
CID 143085262
1-[1-(2-ethylbutyl)cyclobutyl]-N-methylmethanamine
CID 82930955
1-(2-methylphenyl)-N-[(1-prop-2-enylcyclohexyl)methyl]methanamine
CID 135079834
1-[1-(2-methoxyethyl)cyclobutyl]-N-methylmethanamine
CID 65194306
methyl 2-(1-prop-2-enylcyclohexyl)acetate
CID 67656256
N-methyl-1-[1-(4-methylpentyl)cyclobutyl]methanamine
CID 83168798
1-(1-ethenylcyclopropyl)-N-methylmethanamine
CID 121207399

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine?
The IUPAC name of N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine (CID 130672837) is N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine.
What is the SMILES notation for N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine?
The canonical SMILES for N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine is C=CCC1(CNC)CCC1.
What is the InChIKey of N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine?
The InChIKey is WOZHBSJYXAIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9(8-10-2)6-4-7-9/h3,10H,1,4-8H2,2H3.
What are the key properties of N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine?
N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine is sourced from PubChem (CID 130672837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).