N-benzhydrylhexan-1-amine;hydrochloride

C19H26ClN — CID 173426900

IUPACN-benzhydrylhexan-1-amine;hydrochloride
SMILESCCCCCCNC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;/h5-10,12-15,19-20H,2-4,11,16H2,1H3;1H
InChIKeySEXFVXDPRLFURJ-UHFFFAOYSA-N
MW303.88 g/mol
LogP5.37
Rot. Bonds8

About N-benzhydrylhexan-1-amine;hydrochloride

N-benzhydrylhexan-1-amine;hydrochloride (PubChem CID 173426900) has the molecular formula C19H26ClN and a molecular weight of 303.88 g/mol. Its IUPAC name is N-benzhydrylhexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzhydrylhexan-1-amine;hydrochloride
PubChem CID173426900
Molecular FormulaC19H26ClN
Molecular Weight303.88 g/mol
Exact Mass303.18
IUPAC NameN-benzhydrylhexan-1-amine;hydrochloride
SMILESCCCCCCNC(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H25N.ClH/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;/h5-10,12-15,19-20H,2-4,11,16H2,1H3;1H
InChIKeySEXFVXDPRLFURJ-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.88
LogP ≤ 55.37
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-benzhydryldecan-1-amine;hydrochloride
CID 173427301
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-[(4-methylphenyl)-phenylmethyl]octan-1-amine
CID 3847928
N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 173151807
N-[(1R)-1-phenylethyl]heptan-1-amine
CID 14866487
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
disodium;[(octadecylamino)-phenylmethyl]-trioxidophosphanium
CID 101225675

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylhexan-1-amine;hydrochloride?
The IUPAC name of N-benzhydrylhexan-1-amine;hydrochloride (CID 173426900) is N-benzhydrylhexan-1-amine;hydrochloride.
What is the SMILES notation for N-benzhydrylhexan-1-amine;hydrochloride?
The canonical SMILES for N-benzhydrylhexan-1-amine;hydrochloride is CCCCCCNC(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of N-benzhydrylhexan-1-amine;hydrochloride?
The InChIKey is SEXFVXDPRLFURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.ClH/c1-2-3-4-11-16-20-19(17-12-7-5-8-13-17)18-14-9-6-10-15-18;/h5-10,12-15,19-20H,2-4,11,16H2,1H3;1H.
What are the key properties of N-benzhydrylhexan-1-amine;hydrochloride?
N-benzhydrylhexan-1-amine;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 5.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylhexan-1-amine;hydrochloride is sourced from PubChem (CID 173426900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).