[2-(3-methoxypropyl)cyclobutyl]methanamine

C9H19NO — CID 81010610

IUPAC[2-(3-methoxypropyl)cyclobutyl]methanamine
SMILESCOCCCC1CCC1CN
InChIInChI=1S/C9H19NO/c1-11-6-2-3-8-4-5-9(8)7-10/h8-9H,2-7,10H2,1H3
InChIKeyDAKVJOXZHGEHCU-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds5

About [2-(3-methoxypropyl)cyclobutyl]methanamine

[2-(3-methoxypropyl)cyclobutyl]methanamine (PubChem CID 81010610) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [2-(3-methoxypropyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxypropyl)cyclobutyl]methanamine
PubChem CID81010610
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[2-(3-methoxypropyl)cyclobutyl]methanamine
SMILESCOCCCC1CCC1CN
InChIInChI=1S/C9H19NO/c1-11-6-2-3-8-4-5-9(8)7-10/h8-9H,2-7,10H2,1H3
InChIKeyDAKVJOXZHGEHCU-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(3-methoxypropyl)cyclobutyl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
1-(3-methoxypropyl)-2-propylcyclohexane
CID 134612935
N-[[2-(3-methoxypropyl)cyclobutyl]methyl]propan-2-amine
CID 81017330
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclobutan-1-amine
CID 80997660
N-[[2-[3-(2-methoxyethoxy)propyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 103415897
(3S,4S)-4-(3-methoxypropyl)pyrrolidin-3-amine
CID 178197928
[2-(aminomethyl)cyclobutyl]methanamine;hydrochloride
CID 175788563
4-(3-methoxypropyl)cyclohexan-1-amine;hydrochloride
CID 146675825
3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
2-[3-(2-methoxyethoxy)propyl]cyclohexan-1-amine
CID 103410699
2-(aminomethyl)-N-(3-methoxypropyl)-N-methylcyclohexan-1-amine
CID 62984804

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxypropyl)cyclobutyl]methanamine?
The IUPAC name of [2-(3-methoxypropyl)cyclobutyl]methanamine (CID 81010610) is [2-(3-methoxypropyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(3-methoxypropyl)cyclobutyl]methanamine?
The canonical SMILES for [2-(3-methoxypropyl)cyclobutyl]methanamine is COCCCC1CCC1CN.
What is the InChIKey of [2-(3-methoxypropyl)cyclobutyl]methanamine?
The InChIKey is DAKVJOXZHGEHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-11-6-2-3-8-4-5-9(8)7-10/h8-9H,2-7,10H2,1H3.
What are the key properties of [2-(3-methoxypropyl)cyclobutyl]methanamine?
[2-(3-methoxypropyl)cyclobutyl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxypropyl)cyclobutyl]methanamine is sourced from PubChem (CID 81010610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).