N-benzhydryldecan-1-amine

C23H33N — CID 57251579

IUPACN-benzhydryldecan-1-amine
SMILESCCCCCCCCCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N/c1-2-3-4-5-6-7-8-15-20-24-23(21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19,23-24H,2-8,15,20H2,1H3
InChIKeyMXUFWEKRIYPYFO-UHFFFAOYSA-N
MW323.52 g/mol
LogP6.51
Rot. Bonds12

About N-benzhydryldecan-1-amine

N-benzhydryldecan-1-amine (PubChem CID 57251579) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is N-benzhydryldecan-1-amine.

Molecular Properties

Compound NameN-benzhydryldecan-1-amine
PubChem CID57251579
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC NameN-benzhydryldecan-1-amine
SMILESCCCCCCCCCCNC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N/c1-2-3-4-5-6-7-8-15-20-24-23(21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19,23-24H,2-8,15,20H2,1H3
InChIKeyMXUFWEKRIYPYFO-UHFFFAOYSA-N
XLogP6.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 56.51
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-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
[(dodecylamino)-phenylmethyl]phosphonous acid
CID 57186743
N-[(1S)-1-phenylprop-2-enyl]hexan-1-amine
CID 11830897

Frequently Asked Questions

What is the IUPAC name of N-benzhydryldecan-1-amine?
The IUPAC name of N-benzhydryldecan-1-amine (CID 57251579) is N-benzhydryldecan-1-amine.
What is the SMILES notation for N-benzhydryldecan-1-amine?
The canonical SMILES for N-benzhydryldecan-1-amine is CCCCCCCCCCNC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryldecan-1-amine?
The InChIKey is MXUFWEKRIYPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-2-3-4-5-6-7-8-15-20-24-23(21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19,23-24H,2-8,15,20H2,1H3.
What are the key properties of N-benzhydryldecan-1-amine?
N-benzhydryldecan-1-amine has a molecular weight of 323.52 g/mol, XLogP of 6.51, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryldecan-1-amine is sourced from PubChem (CID 57251579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).