N-(3,3,3-triphenylpropyl)hexan-1-amine

C27H33N — CID 69396005

IUPACN-(3,3,3-triphenylpropyl)hexan-1-amine
SMILESCCCCCCNCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N/c1-2-3-4-14-22-28-23-21-27(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,28H,2-4,14,21-23H2,1H3
InChIKeyQUJWJQIUDRRSSB-UHFFFAOYSA-N
MW371.57 g/mol
LogP6.58
Rot. Bonds11

About N-(3,3,3-triphenylpropyl)hexan-1-amine

N-(3,3,3-triphenylpropyl)hexan-1-amine (PubChem CID 69396005) has the molecular formula C27H33N and a molecular weight of 371.57 g/mol. Its IUPAC name is N-(3,3,3-triphenylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-(3,3,3-triphenylpropyl)hexan-1-amine
PubChem CID69396005
Molecular FormulaC27H33N
Molecular Weight371.57 g/mol
Exact Mass371.26
IUPAC NameN-(3,3,3-triphenylpropyl)hexan-1-amine
SMILESCCCCCCNCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N/c1-2-3-4-14-22-28-23-21-27(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,28H,2-4,14,21-23H2,1H3
InChIKeyQUJWJQIUDRRSSB-UHFFFAOYSA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.57
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-2-phenylpropyl)nonan-1-amine
CID 63491686
N-(2-methyl-2-phenylpropyl)hexan-1-amine
CID 63451792
N-(2-phenylpropan-2-yl)dodecan-1-amine
CID 18319434
N-octyl-N'-phenylethane-1,2-diamine
CID 115568749
N-(4-phenylbutyl)hexan-1-amine
CID 54151992
N-(1,1-diphenylethyl)pentan-1-amine
CID 67665508
11-phenyl-N-undecylundecan-1-amine
CID 175593224
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N-(2-phenylethyl)undecan-1-amine
CID 141108004
tert-butylbenzene;hexane
CID 175254424
cumene;N-octadecyloctadecan-1-amine
CID 67656725
benzaldehyde;N-hexylhexan-1-amine
CID 87442359

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-triphenylpropyl)hexan-1-amine?
The IUPAC name of N-(3,3,3-triphenylpropyl)hexan-1-amine (CID 69396005) is N-(3,3,3-triphenylpropyl)hexan-1-amine.
What is the SMILES notation for N-(3,3,3-triphenylpropyl)hexan-1-amine?
The canonical SMILES for N-(3,3,3-triphenylpropyl)hexan-1-amine is CCCCCCNCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3,3-triphenylpropyl)hexan-1-amine?
The InChIKey is QUJWJQIUDRRSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N/c1-2-3-4-14-22-28-23-21-27(24-15-8-5-9-16-24,25-17-10-6-11-18-25)26-19-12-7-13-20-26/h5-13,15-20,28H,2-4,14,21-23H2,1H3.
What are the key properties of N-(3,3,3-triphenylpropyl)hexan-1-amine?
N-(3,3,3-triphenylpropyl)hexan-1-amine has a molecular weight of 371.57 g/mol, XLogP of 6.58, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-triphenylpropyl)hexan-1-amine is sourced from PubChem (CID 69396005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).