N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine

C19H31N — CID 63421172

IUPACN-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C19H31N/c1-16(2)10-6-3-4-9-15-20-19(18-13-14-18)17-11-7-5-8-12-17/h5,7-8,11-12,16,18-20H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyATMWEIBTTDYDCU-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.33
Rot. Bonds10

About N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine

N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine (PubChem CID 63421172) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
PubChem CID63421172
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNC(c1ccccc1)C1CC1
InChIInChI=1S/C19H31N/c1-16(2)10-6-3-4-9-15-20-19(18-13-14-18)17-11-7-5-8-12-17/h5,7-8,11-12,16,18-20H,3-4,6,9-10,13-15H2,1-2H3
InChIKeyATMWEIBTTDYDCU-UHFFFAOYSA-N
XLogP5.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.33
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-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
CID 43771308
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
3-cyclopropyl-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898654
5-[[cyclohexyl(phenyl)methyl]amino]pentan-1-ol
CID 103920438
3-butoxy-N-[cyclopropyl(phenyl)methyl]propan-1-amine
CID 115898221
4-[[cyclopropyl(phenyl)methyl]amino]butanoic acid
CID 61312384
N-[2-[[cyclopropyl(phenyl)methyl]amino]ethyl]-2-methylpropanamide
CID 61313757
N-[cyclopropyl(phenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570466
7-methyl-N-(2,2,2-trifluoro-1-phenylethyl)octan-1-amine
CID 107814952
N-[cyclopropyl(phenyl)methyl]-2-ethoxyethanamine
CID 61311612
N-[cyclopropyl(phenyl)methyl]-3-ethenoxypropan-1-amine
CID 61312376
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine (CID 63421172) is N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine is CC(C)CCCCCCNC(c1ccccc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is ATMWEIBTTDYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)10-6-3-4-9-15-20-19(18-13-14-18)17-11-7-5-8-12-17/h5,7-8,11-12,16,18-20H,3-4,6,9-10,13-15H2,1-2H3.
What are the key properties of N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine?
N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.33, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(phenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 63421172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).