N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

C18H35NO — CID 106008631

IUPACN-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCC2CCCC2)C1(C)C
InChIInChI=1S/C18H35NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-7-10-15-8-5-6-9-15/h14-17,19H,5-13H2,1-4H3
InChIKeyOBAJCQWTRBKQID-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.39
Rot. Bonds8

About N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine

N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (PubChem CID 106008631) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
PubChem CID106008631
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameN-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
SMILESCC(C)COC1CC(NCCCC2CCCC2)C1(C)C
InChIInChI=1S/C18H35NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-7-10-15-8-5-6-9-15/h14-17,19H,5-13H2,1-4H3
InChIKeyOBAJCQWTRBKQID-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-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

N-(2-cyclopentyloxyethyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64850404
N-[3-(2-methoxyethoxy)propyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64853122
N-(5-methoxypentyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 103921156
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
2,2-dimethyl-N,3-bis(2-methylpropoxy)cyclobutan-1-amine
CID 82710964
3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]propanamide
CID 64851177
2,2-dimethyl-3-(2-methylpropoxy)-N-(3-pyrazol-1-ylpropyl)cyclobutan-1-amine
CID 115905408
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-4-methylpentan-2-ol
CID 103921147
1-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-methylpentan-2-ol
CID 103921361
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]bicyclo[2.2.1]heptan-2-amine
CID 64852165
1-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 64850582
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1-methylpyrrolidin-3-amine
CID 64851962

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine (CID 106008631) is N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is CC(C)COC1CC(NCCCC2CCCC2)C1(C)C.
What is the InChIKey of N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
The InChIKey is OBAJCQWTRBKQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-14(2)13-20-17-12-16(18(17,3)4)19-11-7-10-15-8-5-6-9-15/h14-17,19H,5-13H2,1-4H3.
What are the key properties of N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine?
N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine is sourced from PubChem (CID 106008631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).