N-benzhydrylhexan-1-amine;hydrate

C19H27NO — CID 173442267

IUPACN-benzhydrylhexan-1-amine;hydrate
SMILESCCCCCCNC(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C19H25N.H2O/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;1H2
InChIKeyGDPXZLQCYSENIQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.12
Rot. Bonds8

About N-benzhydrylhexan-1-amine;hydrate

N-benzhydrylhexan-1-amine;hydrate (PubChem CID 173442267) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-benzhydrylhexan-1-amine;hydrate.

Molecular Properties

Compound NameN-benzhydrylhexan-1-amine;hydrate
PubChem CID173442267
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-benzhydrylhexan-1-amine;hydrate
SMILESCCCCCCNC(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C19H25N.H2O/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;1H2
InChIKeyGDPXZLQCYSENIQ-UHFFFAOYSA-N
XLogP4.12
TPSA43.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.12
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-benzhydryloctan-1-amine;hydrate
CID 173441566
N-benzhydryldecan-1-amine
CID 57251579
N-benzhydrylhexan-1-amine;hydrochloride
CID 173426900
N-benzhydryldecan-1-amine;hydrochloride
CID 173427301
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-benzhydrylhexan-1-amine;hydrate?
The IUPAC name of N-benzhydrylhexan-1-amine;hydrate (CID 173442267) is N-benzhydrylhexan-1-amine;hydrate.
What is the SMILES notation for N-benzhydrylhexan-1-amine;hydrate?
The canonical SMILES for N-benzhydrylhexan-1-amine;hydrate is CCCCCCNC(c1ccccc1)c1ccccc1.O.
What is the InChIKey of N-benzhydrylhexan-1-amine;hydrate?
The InChIKey is GDPXZLQCYSENIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.H2O/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;1H2.
What are the key properties of N-benzhydrylhexan-1-amine;hydrate?
N-benzhydrylhexan-1-amine;hydrate has a molecular weight of 285.43 g/mol, XLogP of 4.12, 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;hydrate is sourced from PubChem (CID 173442267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).