2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide

C26H32IN — CID 173157634

IUPAC2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
SMILESCCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.I
InChIInChI=1S/C26H31N.HI/c1-2-12-25(19-22-13-6-3-7-14-22)26(27,20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24;/h3-11,13-18,25H,2,12,19-21,27H2,1H3;1H
InChIKeyKITVLBLVCWGUCH-UHFFFAOYSA-N
MW485.45 g/mol
LogP6.45
Rot. Bonds9

About 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide

2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide (PubChem CID 173157634) has the molecular formula C26H32IN and a molecular weight of 485.45 g/mol. Its IUPAC name is 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide.

Molecular Properties

Compound Name2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
PubChem CID173157634
Molecular FormulaC26H32IN
Molecular Weight485.45 g/mol
Exact Mass485.16
IUPAC Name2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
SMILESCCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.I
InChIInChI=1S/C26H31N.HI/c1-2-12-25(19-22-13-6-3-7-14-22)26(27,20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24;/h3-11,13-18,25H,2,12,19-21,27H2,1H3;1H
InChIKeyKITVLBLVCWGUCH-UHFFFAOYSA-N
XLogP6.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.45
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
CID 173158521
5-benzyl-4-propylnonan-4-amine;hydrochloride
CID 173427101
2-benzyl-3-methyl-1,4-diphenylbutan-2-amine;hydrochloride
CID 173157536
3-benzyl-2-methylheptan-2-amine;hydrochloride
CID 173427146
3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
CID 175956431
3-benzyl-2-methyltridecan-2-amine
CID 11153328
1-phenylhexane-2,3-diol
CID 68731092
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523
3-methyl-1,4-diphenylbutane-2,2-diamine
CID 22904156
(3S)-3-benzyl-4,4-dimethylhexan-1-amine
CID 71001493
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide?
The IUPAC name of 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide (CID 173157634) is 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide.
What is the SMILES notation for 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide?
The canonical SMILES for 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide is CCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.I.
What is the InChIKey of 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide?
The InChIKey is KITVLBLVCWGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N.HI/c1-2-12-25(19-22-13-6-3-7-14-22)26(27,20-23-15-8-4-9-16-23)21-24-17-10-5-11-18-24;/h3-11,13-18,25H,2,12,19-21,27H2,1H3;1H.
What are the key properties of 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide?
2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide has a molecular weight of 485.45 g/mol, XLogP of 6.45, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide is sourced from PubChem (CID 173157634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).