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

C20H33N — CID 43771308

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
SMILESCc1ccc(C(NCCCCCCC(C)C)C2CC2)cc1
InChIInChI=1S/C20H33N/c1-16(2)8-6-4-5-7-15-21-20(19-13-14-19)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3
InChIKeyJUFALYNUGYRSLE-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.64
Rot. Bonds10

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

N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine (PubChem CID 43771308) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
PubChem CID43771308
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine
SMILESCc1ccc(C(NCCCCCCC(C)C)C2CC2)cc1
InChIInChI=1S/C20H33N/c1-16(2)8-6-4-5-7-15-21-20(19-13-14-19)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3
InChIKeyJUFALYNUGYRSLE-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.64
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(phenyl)methyl]-7-methyloctan-1-amine
CID 63421172
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]pentan-2-ol
CID 107270210
N-[cyclopropyl-(4-methylphenyl)methyl]-3-fluoropropan-1-amine
CID 115898727
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
N-[cyclopropyl-(4-methylphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 43771369
5-methyl-N-[1-(4-methylphenyl)ethyl]hexan-1-amine
CID 115325063
N-[cyclopropyl-(4-methylphenyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 43763166
2-cyclohexyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 63448573
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
N-[(4-methylcyclohexyl)-(4-methylphenyl)methyl]ethanamine
CID 55185680

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine (CID 43771308) is N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine is Cc1ccc(C(NCCCCCCC(C)C)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine?
The InChIKey is JUFALYNUGYRSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-16(2)8-6-4-5-7-15-21-20(19-13-14-19)18-11-9-17(3)10-12-18/h9-12,16,19-21H,4-8,13-15H2,1-3H3.
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine?
N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-7-methyloctan-1-amine is sourced from PubChem (CID 43771308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).