1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine

C26H42N4 — CID 100929641

IUPAC1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine
SMILESCNCC(CCCCN(C)C)NC[C@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C26H42N4/c1-27-21-25(16-10-11-19-30(2)3)29-22-26(20-24-14-8-5-9-15-24)28-18-17-23-12-6-4-7-13-23/h4-9,12-15,25-29H,10-11,16-22H2,1-3H3/t25?,26-/m0/s1
InChIKeyGYQGADOURJBCHA-AMVUTOCUSA-N
MW410.65 g/mol
LogP3.34
Rot. Bonds16

About 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine

1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine (PubChem CID 100929641) has the molecular formula C26H42N4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine.

Molecular Properties

Compound Name1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine
PubChem CID100929641
Molecular FormulaC26H42N4
Molecular Weight410.65 g/mol
Exact Mass410.34
IUPAC Name1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine
SMILESCNCC(CCCCN(C)C)NC[C@H](Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C26H42N4/c1-27-21-25(16-10-11-19-30(2)3)29-22-26(20-24-14-8-5-9-15-24)28-18-17-23-12-6-4-7-13-23/h4-9,12-15,25-29H,10-11,16-22H2,1-3H3/t25?,26-/m0/s1
InChIKeyGYQGADOURJBCHA-AMVUTOCUSA-N
XLogP3.34
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.65
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine with MolForge

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Related Compounds

(2S)-2-N-[(2S)-2-(4,4-diphenylbutylamino)-3-phenylpropyl]-1-N-methyl-3-phenylpropane-1,2-diamine
CID 15858785
(2R)-3-cyclohexyl-1-N-[(2R)-1-(methylamino)-3-phenylpropan-2-yl]-2-N-(3-phenylpropyl)propane-1,2-diamine
CID 24793491
N-(2-phenylethyl)octan-4-amine
CID 11128217
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
(2R)-1-N-[(2S)-1-amino-3-phenylpropan-2-yl]-2-N-propylpentane-1,2-diamine
CID 10588599
N-methylmethanamine;N-methyl-2-phenylethanamine
CID 22563284
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
CID 122628409
N-methyl-1,4-diphenylbutan-2-amine
CID 57128066
N,N-dimethyl-4,8-diphenyloctan-1-amine
CID 13230987
(4R,8S)-8-benzyl-4-N-(2-phenylethyl)nonane-1,4,9-triamine
CID 135143739

Frequently Asked Questions

What is the IUPAC name of 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine?
The IUPAC name of 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine (CID 100929641) is 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine.
What is the SMILES notation for 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine?
The canonical SMILES for 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine is CNCC(CCCCN(C)C)NC[C@H](Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine?
The InChIKey is GYQGADOURJBCHA-AMVUTOCUSA-N. The full InChI is InChI=1S/C26H42N4/c1-27-21-25(16-10-11-19-30(2)3)29-22-26(20-24-14-8-5-9-15-24)28-18-17-23-12-6-4-7-13-23/h4-9,12-15,25-29H,10-11,16-22H2,1-3H3/t25?,26-/m0/s1.
What are the key properties of 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine?
1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine has a molecular weight of 410.65 g/mol, XLogP of 3.34, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-N,6-N-trimethyl-2-N-[(2S)-3-phenyl-2-(2-phenylethylamino)propyl]hexane-1,2,6-triamine is sourced from PubChem (CID 100929641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).