N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine

C18H31N — CID 105050603

IUPACN-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
SMILESCCCCCCC(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31N/c1-5-6-7-8-12-18(19-4)17-11-9-10-16(14-17)13-15(2)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3
InChIKeyONZCVQXLBDFDQC-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.12
Rot. Bonds9

About N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine

N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine (PubChem CID 105050603) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
PubChem CID105050603
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine
SMILESCCCCCCC(NC)c1cccc(CC(C)C)c1
InChIInChI=1S/C18H31N/c1-5-6-7-8-12-18(19-4)17-11-9-10-16(14-17)13-15(2)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3
InChIKeyONZCVQXLBDFDQC-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.12
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-methyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116544032
1-[3-(2-methylpropyl)phenyl]nonylhydrazine
CID 105340725
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
N-methyl-1-(3-methylphenyl)decan-1-amine
CID 55186614
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(3-methoxyphenyl)-N-methyloctan-1-amine
CID 62606041
1-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N-methyl-1-[3-(trifluoromethyl)phenyl]nonan-1-amine
CID 63414431
N,N-dimethyl-3-[1-(methylamino)hexyl]aniline
CID 105129661
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
3-cyclohexyl-N-methyl-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 105050635

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine?
The IUPAC name of N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine (CID 105050603) is N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine.
What is the SMILES notation for N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine?
The canonical SMILES for N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine is CCCCCCC(NC)c1cccc(CC(C)C)c1.
What is the InChIKey of N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine?
The InChIKey is ONZCVQXLBDFDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-5-6-7-8-12-18(19-4)17-11-9-10-16(14-17)13-15(2)3/h9-11,14-15,18-19H,5-8,12-13H2,1-4H3.
What are the key properties of N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine?
N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine has a molecular weight of 261.45 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(2-methylpropyl)phenyl]heptan-1-amine is sourced from PubChem (CID 105050603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).