N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine

C17H27N — CID 54914303

IUPACN-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCCCC(C)C)C1
InChIInChI=1S/C17H27N/c1-13(2)7-6-10-18-16-11-15(12-16)17-9-5-4-8-14(17)3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3
InChIKeyPQYUWTHSZZBSIW-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.27
Rot. Bonds6

About N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine

N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine (PubChem CID 54914303) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
PubChem CID54914303
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine
SMILESCc1ccccc1C1CC(NCCCC(C)C)C1
InChIInChI=1S/C17H27N/c1-13(2)7-6-10-18-16-11-15(12-16)17-9-5-4-8-14(17)3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3
InChIKeyPQYUWTHSZZBSIW-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.27
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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Related Compounds

N'-[3-(2-methylphenyl)cyclobutyl]butane-1,4-diamine
CID 60896174
4-[[3-(2-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 106841126
N-(3-methoxypropyl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634549
3-(2-fluorophenyl)-N-(7-methyloctyl)cyclobutan-1-amine
CID 43634781
3-(2-methylphenyl)-N-(3-propoxypropyl)cyclobutan-1-amine
CID 82941727
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
N-(4-methylpentan-2-yl)-3-(2-methylphenyl)cyclobutan-1-amine
CID 43635375
3-(2-methylphenyl)-N-prop-2-enylcyclobutan-1-amine
CID 43632528
N-(7-methyloctyl)-3-(4-methylphenyl)cyclobutan-1-amine
CID 43634778
N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 107094222

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The IUPAC name of N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine (CID 54914303) is N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine.
What is the SMILES notation for N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The canonical SMILES for N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine is Cc1ccccc1C1CC(NCCCC(C)C)C1.
What is the InChIKey of N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine?
The InChIKey is PQYUWTHSZZBSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(2)7-6-10-18-16-11-15(12-16)17-9-5-4-8-14(17)3/h4-5,8-9,13,15-16,18H,6-7,10-12H2,1-3H3.
What are the key properties of N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine?
N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-3-(2-methylphenyl)cyclobutan-1-amine is sourced from PubChem (CID 54914303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).