N-methyl-3-(3-methylcyclobutyl)propan-1-amine

C9H19N — CID 119055096

IUPACN-methyl-3-(3-methylcyclobutyl)propan-1-amine
SMILESCNCCCC1CC(C)C1
InChIInChI=1S/C9H19N/c1-8-6-9(7-8)4-3-5-10-2/h8-10H,3-7H2,1-2H3
InChIKeyVOZWKBAFPQPVIQ-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.03
Rot. Bonds4

About N-methyl-3-(3-methylcyclobutyl)propan-1-amine

N-methyl-3-(3-methylcyclobutyl)propan-1-amine (PubChem CID 119055096) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclobutyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclobutyl)propan-1-amine
PubChem CID119055096
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyl-3-(3-methylcyclobutyl)propan-1-amine
SMILESCNCCCC1CC(C)C1
InChIInChI=1S/C9H19N/c1-8-6-9(7-8)4-3-5-10-2/h8-10H,3-7H2,1-2H3
InChIKeyVOZWKBAFPQPVIQ-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclobutyl)propan-1-amine?
The IUPAC name of N-methyl-3-(3-methylcyclobutyl)propan-1-amine (CID 119055096) is N-methyl-3-(3-methylcyclobutyl)propan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclobutyl)propan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclobutyl)propan-1-amine is CNCCCC1CC(C)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclobutyl)propan-1-amine?
The InChIKey is VOZWKBAFPQPVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-8-6-9(7-8)4-3-5-10-2/h8-10H,3-7H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclobutyl)propan-1-amine?
N-methyl-3-(3-methylcyclobutyl)propan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclobutyl)propan-1-amine is sourced from PubChem (CID 119055096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).