3,3-diphenylhenicosan-4-amine;hydrochloride

C33H54ClN — CID 173426885

IUPAC3,3-diphenylhenicosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)C(CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C33H53N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-32(34)33(4-2,30-25-20-18-21-26-30)31-27-22-19-23-28-31;/h18-23,25-28,32H,3-17,24,29,34H2,1-2H3;1H
InChIKeyYGSGCVBIHJIPDY-UHFFFAOYSA-N
MW500.26 g/mol
LogP10.39
Rot. Bonds20

About 3,3-diphenylhenicosan-4-amine;hydrochloride

3,3-diphenylhenicosan-4-amine;hydrochloride (PubChem CID 173426885) has the molecular formula C33H54ClN and a molecular weight of 500.26 g/mol. Its IUPAC name is 3,3-diphenylhenicosan-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-diphenylhenicosan-4-amine;hydrochloride
PubChem CID173426885
Molecular FormulaC33H54ClN
Molecular Weight500.26 g/mol
Exact Mass499.39
IUPAC Name3,3-diphenylhenicosan-4-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)C(CC)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C33H53N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-32(34)33(4-2,30-25-20-18-21-26-30)31-27-22-19-23-28-31;/h18-23,25-28,32H,3-17,24,29,34H2,1-2H3;1H
InChIKeyYGSGCVBIHJIPDY-UHFFFAOYSA-N
XLogP10.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.26
LogP ≤ 510.39
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

3-ethyl-3-phenylheptadecan-4-amine;hydrochloride
CID 173450724
2,2-diphenyloctadecan-3-amine;hydrochloride
CID 173427037
3-ethyl-3-phenyltricosan-4-amine
CID 21316172
2-methyl-2-phenylnonan-3-amine
CID 63420123
1,1,2-triphenyltetradecan-1-amine
CID 87776795
1,1,1-triphenylhexan-2-amine
CID 164823082
chloromethane;1-phenyltridecan-1-amine
CID 175245788
1-tritylsulfanyldodecan-6-amine
CID 23042213
1-phenyldecan-1-amine
CID 43175860
1-phenylhexan-1-amine;hydrochloride
CID 3033249
1,1-diphenylnonan-2-amine;hydrate
CID 173441575
1,1-diphenylnonadecan-2-amine;hydrate
CID 173441506

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenylhenicosan-4-amine;hydrochloride?
The IUPAC name of 3,3-diphenylhenicosan-4-amine;hydrochloride (CID 173426885) is 3,3-diphenylhenicosan-4-amine;hydrochloride.
What is the SMILES notation for 3,3-diphenylhenicosan-4-amine;hydrochloride?
The canonical SMILES for 3,3-diphenylhenicosan-4-amine;hydrochloride is CCCCCCCCCCCCCCCCCC(N)C(CC)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3,3-diphenylhenicosan-4-amine;hydrochloride?
The InChIKey is YGSGCVBIHJIPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H53N.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-32(34)33(4-2,30-25-20-18-21-26-30)31-27-22-19-23-28-31;/h18-23,25-28,32H,3-17,24,29,34H2,1-2H3;1H.
What are the key properties of 3,3-diphenylhenicosan-4-amine;hydrochloride?
3,3-diphenylhenicosan-4-amine;hydrochloride has a molecular weight of 500.26 g/mol, XLogP of 10.39, 20 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenylhenicosan-4-amine;hydrochloride is sourced from PubChem (CID 173426885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).