N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

C15H26N2 — CID 62462209

IUPACN,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)10-11-17(4)15(12-16-3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyQUFIWUSBYSKOFR-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds7

About N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (PubChem CID 62462209) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
PubChem CID62462209
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCNCC(c1ccccc1)N(C)CCC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)10-11-17(4)15(12-16-3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3
InChIKeyQUFIWUSBYSKOFR-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 62417944
N'-ethyl-N-methyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 55072043
N-butyl-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62424581
N,N'-dimethyl-N-pentyl-1-phenylethane-1,2-diamine
CID 62420575
N,N'-dimethyl-N-(2-methylsulfonylethyl)-1-phenylethane-1,2-diamine
CID 79858682
N,N'-dimethyl-1-phenyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494234
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N,N'-dimethyl-1-phenyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 62432915
N-butyl-N-methyl-N'-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 55070032
N-(furan-3-ylmethyl)-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 62462915
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643

Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (CID 62462209) is N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is CNCC(c1ccccc1)N(C)CCC(C)C.
What is the InChIKey of N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The InChIKey is QUFIWUSBYSKOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)10-11-17(4)15(12-16-3)14-8-6-5-7-9-14/h5-9,13,15-16H,10-12H2,1-4H3.
What are the key properties of N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 62462209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).