6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine

C17H29N — CID 65308641

IUPAC6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
SMILESCCC(C)c1ccc(CCCCCCNC)cc1
InChIInChI=1S/C17H29N/c1-4-15(2)17-12-10-16(11-13-17)9-7-5-6-8-14-18-3/h10-13,15,18H,4-9,14H2,1-3H3
InChIKeyWSGZNLKYQMULGU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.52
Rot. Bonds9

About 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine

6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine (PubChem CID 65308641) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
PubChem CID65308641
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine
SMILESCCC(C)c1ccc(CCCCCCNC)cc1
InChIInChI=1S/C17H29N/c1-4-15(2)17-12-10-16(11-13-17)9-7-5-6-8-14-18-3/h10-13,15,18H,4-9,14H2,1-3H3
InChIKeyWSGZNLKYQMULGU-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.52
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-butan-2-ylphenyl)methyl]-N-methylbutane-1,4-diamine
CID 115201902
6-(4-ethylphenyl)-N-methylhexan-1-amine
CID 65308799
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
4-(4-butan-2-ylphenyl)butyl-trimethylazanium
CID 121423161
3-(4-butan-2-ylphenyl)-N-methylbutan-1-amine
CID 112507884
N-methyl-9-phenylnonan-1-amine
CID 10609702
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
1-butan-2-yl-3-[3-(4-butan-2-ylphenyl)propyl]benzene
CID 123964762
1-(4-butan-2-ylphenyl)-4-(methylamino)butan-1-one
CID 116915878
2-(4-butan-2-ylphenoxy)-N-methylethanamine
CID 107664179

Frequently Asked Questions

What is the IUPAC name of 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine?
The IUPAC name of 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine (CID 65308641) is 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine?
The canonical SMILES for 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine is CCC(C)c1ccc(CCCCCCNC)cc1.
What is the InChIKey of 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine?
The InChIKey is WSGZNLKYQMULGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-15(2)17-12-10-16(11-13-17)9-7-5-6-8-14-18-3/h10-13,15,18H,4-9,14H2,1-3H3.
What are the key properties of 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine?
6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butan-2-ylphenyl)-N-methylhexan-1-amine is sourced from PubChem (CID 65308641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).