2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine

C23H34N2 — CID 58597867

IUPAC2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)Cc1cccc(CN(Cc2ccccc2)C(C)CN(C)C)c1
InChIInChI=1S/C23H34N2/c1-19(2)14-22-12-9-13-23(15-22)18-25(20(3)16-24(4)5)17-21-10-7-6-8-11-21/h6-13,15,19-20H,14,16-18H2,1-5H3
InChIKeyCLQQBBVMBAXUDW-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.84
Rot. Bonds9

About 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine

2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (PubChem CID 58597867) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
PubChem CID58597867
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
SMILESCC(C)Cc1cccc(CN(Cc2ccccc2)C(C)CN(C)C)c1
InChIInChI=1S/C23H34N2/c1-19(2)14-22-12-9-13-23(15-22)18-25(20(3)16-24(4)5)17-21-10-7-6-8-11-21/h6-13,15,19-20H,14,16-18H2,1-5H3
InChIKeyCLQQBBVMBAXUDW-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine with MolForge

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Related Compounds

(2S)-2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]-4-phenylbutane-1,2-diamine
CID 58597984
(2S)-2-N-benzyl-2-N-[(3-ethylphenyl)methyl]-1-N,1-N-dimethyl-3-phenylpropane-1,2-diamine
CID 70827275
(2S)-2-N-[(2-chlorophenyl)methyl]-1-N,1-N,3,3-tetramethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]butane-1,2-diamine
CID 58597938
2-N-ethyl-2-N-[[3-(ethylaminomethyl)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191702
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
ethane;1-ethyl-3-(2-methylpropyl)benzene;molecular hydrogen
CID 142978471
N'-[(4-fluorophenyl)methyl]-N,N-dimethyl-N'-[[3-(2-methylpropyl)phenyl]methyl]ethane-1,2-diamine
CID 58598136
2-[[3-[[benzyl-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenyl]methyl-ethylamino]oxyethanol
CID 87074408
ethane;(2S)-2-N-[(3-ethylphenyl)methyl]-1-N,1-N,4-trimethyl-2-N-[(2-methylphenyl)methyl]pentane-1,2-diamine
CID 143169792
(2S)-2-(dibenzylamino)-3-[3-[(2S)-2-(dibenzylamino)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990031
ethane;2-methylpropylbenzene
CID 162200929
(2S)-2-N-[(3-ethylphenyl)methyl]-1-N,1-N,4-trimethyl-2-N-[(2-phenoxyphenyl)methyl]pentane-1,2-diamine
CID 70827311

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine (CID 58597867) is 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is CC(C)Cc1cccc(CN(Cc2ccccc2)C(C)CN(C)C)c1.
What is the InChIKey of 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
The InChIKey is CLQQBBVMBAXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-19(2)14-22-12-9-13-23(15-22)18-25(20(3)16-24(4)5)17-21-10-7-6-8-11-21/h6-13,15,19-20H,14,16-18H2,1-5H3.
What are the key properties of 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine?
2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine has a molecular weight of 338.54 g/mol, XLogP of 4.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-1-N,1-N-dimethyl-2-N-[[3-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine is sourced from PubChem (CID 58597867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).