1,1-diphenylhexan-1-amine

C18H23N — CID 20568221

IUPAC1,1-diphenylhexan-1-amine
SMILESCCCCCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-2-3-10-15-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15,19H2,1H3
InChIKeyWQXKZCFXABANJU-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.47
Rot. Bonds6

About 1,1-diphenylhexan-1-amine

1,1-diphenylhexan-1-amine (PubChem CID 20568221) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,1-diphenylhexan-1-amine.

Molecular Properties

Compound Name1,1-diphenylhexan-1-amine
PubChem CID20568221
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1,1-diphenylhexan-1-amine
SMILESCCCCCC(N)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H23N/c1-2-3-10-15-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15,19H2,1H3
InChIKeyWQXKZCFXABANJU-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.47
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

1,1-diphenyldodecan-1-amine
CID 19925745
1,1-diphenylpentan-1-amine
CID 10263654
2-phenyldecan-2-amine
CID 63408050
2-phenylicosan-2-amine;hydrochloride
CID 173065845
(1-ethoxy-1-phenyldecyl)benzene
CID 150440609
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-methyl-3,3-diphenylnonadecan-2-amine;hydrobromide
CID 175600544
(2S)-2-phenylhexan-2-amine
CID 10889241
5-butylhexadecan-5-ylbenzene
CID 173084700
tert-butylbenzene;hexane
CID 175254424
(3R)-2-methyl-3-phenylheptan-3-amine
CID 53487426
1,1-difluoroheptylbenzene
CID 12070547

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylhexan-1-amine?
The IUPAC name of 1,1-diphenylhexan-1-amine (CID 20568221) is 1,1-diphenylhexan-1-amine.
What is the SMILES notation for 1,1-diphenylhexan-1-amine?
The canonical SMILES for 1,1-diphenylhexan-1-amine is CCCCCC(N)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylhexan-1-amine?
The InChIKey is WQXKZCFXABANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-3-10-15-18(19,16-11-6-4-7-12-16)17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15,19H2,1H3.
What are the key properties of 1,1-diphenylhexan-1-amine?
1,1-diphenylhexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylhexan-1-amine is sourced from PubChem (CID 20568221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).