N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine

C23H34N2 — CID 70495376

IUPACN,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
SMILESCN(C)CC(C)(CCCNCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N2/c1-23(20-25(2)3,22-15-8-5-9-16-22)17-11-19-24-18-10-14-21-12-6-4-7-13-21/h4-9,12-13,15-16,24H,10-11,14,17-20H2,1-3H3
InChIKeyXWVMVOOFEKNVLW-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.51
Rot. Bonds11

About N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine

N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine (PubChem CID 70495376) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
PubChem CID70495376
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC NameN,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine
SMILESCN(C)CC(C)(CCCNCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N2/c1-23(20-25(2)3,22-15-8-5-9-16-22)17-11-19-24-18-10-14-21-12-6-4-7-13-21/h4-9,12-13,15-16,24H,10-11,14,17-20H2,1-3H3
InChIKeyXWVMVOOFEKNVLW-UHFFFAOYSA-N
XLogP4.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,N',2-tetramethyl-2-phenyl-N'-(2-phenylethyl)pentane-1,5-diamine
CID 70495377
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
3-(dimethylamino)-2,2-difluoro-N-(3-phenylpropyl)propanamide
CID 166390711
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N-(3-phenylpropyl)undecan-1-amine
CID 10469447
N'-tert-butyl-N-(4-phenylbutyl)ethane-1,2-diamine
CID 113405378
2-(3-phenylpropylamino)ethanol
CID 19012091
N-(2-bromoethyl)-3-phenylpropan-1-amine
CID 68743153
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
N,N,2-trimethyl-5-phenylpentan-2-amine
CID 13178252
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
4-bromo-N-(3-phenylpropyl)butan-1-amine
CID 106844820

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The IUPAC name of N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine (CID 70495376) is N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The canonical SMILES for N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine is CN(C)CC(C)(CCCNCCCc1ccccc1)c1ccccc1.
What is the InChIKey of N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
The InChIKey is XWVMVOOFEKNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-23(20-25(2)3,22-15-8-5-9-16-22)17-11-19-24-18-10-14-21-12-6-4-7-13-21/h4-9,12-13,15-16,24H,10-11,14,17-20H2,1-3H3.
What are the key properties of N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine?
N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine has a molecular weight of 338.54 g/mol, XLogP of 4.51, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-2-phenyl-N'-(3-phenylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 70495376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).