2-methyl-4-pentylcyclobutan-1-amine

C10H21N — CID 138495120

IUPAC2-methyl-4-pentylcyclobutan-1-amine
SMILESCCCCCC1CC(C)C1N
InChIInChI=1S/C10H21N/c1-3-4-5-6-9-7-8(2)10(9)11/h8-10H,3-7,11H2,1-2H3
InChIKeyDCUOKHDHWFIWBK-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-4-pentylcyclobutan-1-amine

2-methyl-4-pentylcyclobutan-1-amine (PubChem CID 138495120) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-4-pentylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-4-pentylcyclobutan-1-amine
PubChem CID138495120
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-4-pentylcyclobutan-1-amine
SMILESCCCCCC1CC(C)C1N
InChIInChI=1S/C10H21N/c1-3-4-5-6-9-7-8(2)10(9)11/h8-10H,3-7,11H2,1-2H3
InChIKeyDCUOKHDHWFIWBK-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-4-pentylcyclobutan-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

Related Compounds

1-methyl-2-pentadecylcyclopropane
CID 54385825
1-methyl-2-[6-(2-tetradecylcyclopropyl)hexyl]cyclopropane
CID 123959869
2-hexyl-4-methylbicyclo[3.1.0]hexane
CID 163738205
2-hexyl-4-methylcyclohexan-1-amine
CID 55221311
2-dodecyl-4-methylcyclohexan-1-amine
CID 63403347
trans-(1R,2S)-1-butyl-2-methylcyclopropane
CID 102002542
1-hexyl-2-undecylcyclopropane
CID 58049498
cis-(1S,2S)-1-butyl-2-methylcyclopropane
CID 15579941
1,2-dioctylcyclopropane
CID 21337627
trans-(1S,2S)-1-butyl-2-pentylcyclopropane
CID 91692463
3-dodecyl-2-methylcyclopentan-1-amine
CID 64908094
1-propyl-2-undecylcyclopropane
CID 123636027

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pentylcyclobutan-1-amine?
The IUPAC name of 2-methyl-4-pentylcyclobutan-1-amine (CID 138495120) is 2-methyl-4-pentylcyclobutan-1-amine.
What is the SMILES notation for 2-methyl-4-pentylcyclobutan-1-amine?
The canonical SMILES for 2-methyl-4-pentylcyclobutan-1-amine is CCCCCC1CC(C)C1N.
What is the InChIKey of 2-methyl-4-pentylcyclobutan-1-amine?
The InChIKey is DCUOKHDHWFIWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-4-5-6-9-7-8(2)10(9)11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-methyl-4-pentylcyclobutan-1-amine?
2-methyl-4-pentylcyclobutan-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pentylcyclobutan-1-amine is sourced from PubChem (CID 138495120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).