2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride

C29H38ClN — CID 173158521

IUPAC2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
SMILESCCCCCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C29H37N.ClH/c1-2-3-4-14-21-28(22-25-15-8-5-9-16-25)29(30,23-26-17-10-6-11-18-26)24-27-19-12-7-13-20-27;/h5-13,15-20,28H,2-4,14,21-24,30H2,1H3;1H
InChIKeyFGJRXXQNIPSDJO-UHFFFAOYSA-N
MW436.08 g/mol
LogP7.42
Rot. Bonds12

About 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride

2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride (PubChem CID 173158521) has the molecular formula C29H38ClN and a molecular weight of 436.08 g/mol. Its IUPAC name is 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride.

Molecular Properties

Compound Name2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
PubChem CID173158521
Molecular FormulaC29H38ClN
Molecular Weight436.08 g/mol
Exact Mass435.27
IUPAC Name2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride
SMILESCCCCCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C29H37N.ClH/c1-2-3-4-14-21-28(22-25-15-8-5-9-16-25)29(30,23-26-17-10-6-11-18-26)24-27-19-12-7-13-20-27;/h5-13,15-20,28H,2-4,14,21-24,30H2,1H3;1H
InChIKeyFGJRXXQNIPSDJO-UHFFFAOYSA-N
XLogP7.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.08
LogP ≤ 57.42
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

2,3-dibenzyl-1-phenylhexan-2-amine;hydroiodide
CID 173157634
3-benzyl-2-methylheptadecan-2-amine;hydrate;hydrochloride
CID 173297757
3-benzyl-2-methyltridecan-2-amine
CID 11153328
5-benzyl-4-propylnonan-4-amine;hydrochloride
CID 173427101
(2,3-dibenzyl-1-phenyldecan-2-yl)phosphane;hydrobromide
CID 173157523
3-benzyl-2-methylheptan-2-amine;hydrochloride
CID 173427146
2-(2-chloropropan-2-yl)tridecylbenzene
CID 175479853
(3-benzyl-2-methyldecan-2-yl)phosphane;hydroiodide
CID 173157860
2-(1,1-dimethoxyethyl)decylbenzene
CID 151688969
(6-benzyl-5-butyltetradecan-5-yl)arsane
CID 173347264
azanium;4-benzyl-3-ethylhexadecan-3-ol;chloride
CID 159602432
(6-benzyl-5-butyltetradecan-5-yl)arsane;hydrate
CID 173347263

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride?
The IUPAC name of 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride (CID 173158521) is 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride.
What is the SMILES notation for 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride?
The canonical SMILES for 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride is CCCCCCC(Cc1ccccc1)C(N)(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride?
The InChIKey is FGJRXXQNIPSDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N.ClH/c1-2-3-4-14-21-28(22-25-15-8-5-9-16-25)29(30,23-26-17-10-6-11-18-26)24-27-19-12-7-13-20-27;/h5-13,15-20,28H,2-4,14,21-24,30H2,1H3;1H.
What are the key properties of 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride?
2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride has a molecular weight of 436.08 g/mol, XLogP of 7.42, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzyl-1-phenylnonan-2-amine;hydrochloride is sourced from PubChem (CID 173158521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).