N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine

C19H31N — CID 79978978

IUPACN-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1ccc(C2CC2)cc1
InChIInChI=1S/C19H31N/c1-16(2)7-5-3-4-6-14-20-15-17-8-10-18(11-9-17)19-12-13-19/h8-11,16,19-20H,3-7,12-15H2,1-2H3
InChIKeyCRFNAHHBLQLRRG-UHFFFAOYSA-N
MW273.46 g/mol
LogP5.26
Rot. Bonds10

About N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine

N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 79978978) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
PubChem CID79978978
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1ccc(C2CC2)cc1
InChIInChI=1S/C19H31N/c1-16(2)7-5-3-4-6-14-20-15-17-8-10-18(11-9-17)19-12-13-19/h8-11,16,19-20H,3-7,12-15H2,1-2H3
InChIKeyCRFNAHHBLQLRRG-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
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-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
5-methyl-N-[(4-methylsulfanylphenyl)methyl]hexan-1-amine
CID 113287353
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
4-[(5-methylhexylamino)methyl]benzamide
CID 79002955
N-[(3,5-dimethylphenyl)methyl]-7-methyloctan-1-amine
CID 60689891
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
4-[(4-cyclopropylphenyl)methylamino]butanoic acid
CID 79979436
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
5-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]hexan-1-amine
CID 115324925
N-(2,3-dihydro-1H-indol-5-ylmethyl)-7-methyloctan-1-amine
CID 107815618
4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine
CID 166564774
4-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pentan-1-amine
CID 54913869

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine (CID 79978978) is N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine is CC(C)CCCCCCNCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is CRFNAHHBLQLRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N/c1-16(2)7-5-3-4-6-14-20-15-17-8-10-18(11-9-17)19-12-13-19/h8-11,16,19-20H,3-7,12-15H2,1-2H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine?
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 273.46 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 79978978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).