1,1-diphenylheptan-2-amine;hydrate

C19H27NO — CID 173442268

IUPAC1,1-diphenylheptan-2-amine;hydrate
SMILESCCCCCC(N)C(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C19H25N.H2O/c1-2-3-6-15-18(20)19(16-11-7-4-8-12-16)17-13-9-5-10-14-17;/h4-5,7-14,18-19H,2-3,6,15,20H2,1H3;1H2
InChIKeyGVRDELMYIHBVIK-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.90
Rot. Bonds7

About 1,1-diphenylheptan-2-amine;hydrate

1,1-diphenylheptan-2-amine;hydrate (PubChem CID 173442268) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1,1-diphenylheptan-2-amine;hydrate.

Molecular Properties

Compound Name1,1-diphenylheptan-2-amine;hydrate
PubChem CID173442268
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1,1-diphenylheptan-2-amine;hydrate
SMILESCCCCCC(N)C(c1ccccc1)c1ccccc1.O
InChIInChI=1S/C19H25N.H2O/c1-2-3-6-15-18(20)19(16-11-7-4-8-12-16)17-13-9-5-10-14-17;/h4-5,7-14,18-19H,2-3,6,15,20H2,1H3;1H2
InChIKeyGVRDELMYIHBVIK-UHFFFAOYSA-N
XLogP3.90
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.90
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-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506
1,1-diphenylhexan-2-amine;hydrate
CID 173442178
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1-phenylheptadecan-1-amine;hydrobromide
CID 20538047
(2S,3R)-2-phenylheptan-3-amine
CID 11252501
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
chloromethane;1-phenyltridecan-1-amine
CID 175245788
2-methyl-1,1-diphenylhexan-3-amine
CID 83047736
4-methyl-1,1-diphenylheptan-2-amine
CID 63412141

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylheptan-2-amine;hydrate?
The IUPAC name of 1,1-diphenylheptan-2-amine;hydrate (CID 173442268) is 1,1-diphenylheptan-2-amine;hydrate.
What is the SMILES notation for 1,1-diphenylheptan-2-amine;hydrate?
The canonical SMILES for 1,1-diphenylheptan-2-amine;hydrate is CCCCCC(N)C(c1ccccc1)c1ccccc1.O.
What is the InChIKey of 1,1-diphenylheptan-2-amine;hydrate?
The InChIKey is GVRDELMYIHBVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N.H2O/c1-2-3-6-15-18(20)19(16-11-7-4-8-12-16)17-13-9-5-10-14-17;/h4-5,7-14,18-19H,2-3,6,15,20H2,1H3;1H2.
What are the key properties of 1,1-diphenylheptan-2-amine;hydrate?
1,1-diphenylheptan-2-amine;hydrate has a molecular weight of 285.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylheptan-2-amine;hydrate is sourced from PubChem (CID 173442268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).