1-(2-cyclobutylphenyl)-N-methylheptan-1-amine

C18H29N — CID 105052148

IUPAC1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccccc1C1CCC1
InChIInChI=1S/C18H29N/c1-3-4-5-6-14-18(19-2)17-13-8-7-12-16(17)15-10-9-11-15/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3
InChIKeyRJBBXIXBLJYNOG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.18
Rot. Bonds8

About 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine

1-(2-cyclobutylphenyl)-N-methylheptan-1-amine (PubChem CID 105052148) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
PubChem CID105052148
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(2-cyclobutylphenyl)-N-methylheptan-1-amine
SMILESCCCCCCC(NC)c1ccccc1C1CCC1
InChIInChI=1S/C18H29N/c1-3-4-5-6-14-18(19-2)17-13-8-7-12-16(17)15-10-9-11-15/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3
InChIKeyRJBBXIXBLJYNOG-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.18
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

1-(2-cyclobutylphenyl)-N-propylheptan-1-amine
CID 105052307
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-cyclobutylphenyl)-N,3,4,4-tetramethylpentan-1-amine
CID 105052388
1-(2-cyclobutylphenyl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 114602810
1-(2-cyclobutylphenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114602862
1-(2-cyclobutylphenyl)-N-methyl-2-phenoxyethanamine
CID 114602891
1-(2-bromophenyl)-N-methylhexan-1-amine
CID 62602989
1-(2-ethoxyphenyl)-N-methyldecan-1-amine
CID 115533928
[1-(2-cyclobutylphenyl)-4-methoxybutyl]hydrazine
CID 105224970
1-(2-cyclobutylphenyl)-2-ethoxy-N-methylpentan-1-amine
CID 114604701
1-(2-methoxyphenyl)-N-methylhexan-1-amine
CID 62608289
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine?
The IUPAC name of 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine (CID 105052148) is 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine?
The canonical SMILES for 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine is CCCCCCC(NC)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine?
The InChIKey is RJBBXIXBLJYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-3-4-5-6-14-18(19-2)17-13-8-7-12-16(17)15-10-9-11-15/h7-8,12-13,15,18-19H,3-6,9-11,14H2,1-2H3.
What are the key properties of 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine?
1-(2-cyclobutylphenyl)-N-methylheptan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-N-methylheptan-1-amine is sourced from PubChem (CID 105052148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).