6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine

C16H27N — CID 65308626

IUPAC6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)C)cc1
InChIInChI=1S/C16H27N/c1-14(2)17-13-7-5-4-6-8-16-11-9-15(3)10-12-16/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyHVTODOWVYGFHGL-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.10
Rot. Bonds8

About 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine

6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine (PubChem CID 65308626) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
PubChem CID65308626
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine
SMILESCc1ccc(CCCCCCNC(C)C)cc1
InChIInChI=1S/C16H27N/c1-14(2)17-13-7-5-4-6-8-16-11-9-15(3)10-12-16/h9-12,14,17H,4-8,13H2,1-3H3
InChIKeyHVTODOWVYGFHGL-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.10
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-propan-2-yl-5-(4-propan-2-ylphenyl)pentan-1-amine
CID 65305501
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
6-(3,4-dimethylphenyl)-N-propan-2-ylhexan-1-amine
CID 65308314
6-(3,4-diethylphenyl)-N-propan-2-ylhexan-1-amine
CID 115483370
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
6-(4-methylphenyl)-N-methylsulfanylhexan-1-amine
CID 144843276
3,3-dimethyl-5-(4-methylphenyl)-N-propan-2-ylpentan-1-amine
CID 65304944
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
N-[2-(4-methylphenyl)ethyl]-5-phenylpentan-1-amine
CID 18790228

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine (CID 65308626) is 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine is Cc1ccc(CCCCCCNC(C)C)cc1.
What is the InChIKey of 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine?
The InChIKey is HVTODOWVYGFHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-14(2)17-13-7-5-4-6-8-16-11-9-15(3)10-12-16/h9-12,14,17H,4-8,13H2,1-3H3.
What are the key properties of 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine?
6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylphenyl)-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 65308626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).