3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine

C14H24N2 — CID 142384249

IUPAC3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
SMILESCNCCC(C)(C)N(C)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-14(2,10-11-15-3)16(4)12-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3
InChIKeyOTVZVLZUJYMZIR-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.51
Rot. Bonds6

About 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine

3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine (PubChem CID 142384249) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
PubChem CID142384249
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine
SMILESCNCCC(C)(C)N(C)Cc1ccccc1
InChIInChI=1S/C14H24N2/c1-14(2,10-11-15-3)16(4)12-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3
InChIKeyOTVZVLZUJYMZIR-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N,3-N,3-trimethylbutane-1,3-diamine
CID 143118699
N-benzyl-1,1,1-trifluoro-N-methylmethanamine
CID 5167579
1-N,2-N,2-trimethyl-2-N-[(4-methylphenyl)methyl]propane-1,2-diamine
CID 115132783
1-N-methyl-4-phenylbutane-1,3,3-triamine
CID 141382492
N'-benzyl-N,N'-dimethylpentadecane-1,15-diamine
CID 90352637
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
N,N-dimethyl-1-phenylmethanamine;ethane;N-methylmethanamine
CID 91426963
4-[3-[benzyl(methyl)amino]-3-methylbutyl]-4-phenylpiperidine-2,6-dione
CID 19090043
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
[methyl-[2-(methylamino)ethylsulfamoyl]amino]methylbenzene
CID 62659313
3-N,3-dimethyl-3-N-[(4-propan-2-yloxyphenyl)methyl]butane-1,3-diamine
CID 115134836
2-N-benzyl-2-N,2-dimethylbutane-1,2-diamine
CID 24696909

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The IUPAC name of 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine (CID 142384249) is 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine is CNCCC(C)(C)N(C)Cc1ccccc1.
What is the InChIKey of 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
The InChIKey is OTVZVLZUJYMZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-14(2,10-11-15-3)16(4)12-13-8-6-5-7-9-13/h5-9,15H,10-12H2,1-4H3.
What are the key properties of 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine?
3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N,3-N,3-trimethylbutane-1,3-diamine is sourced from PubChem (CID 142384249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).