N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

C17H31N3 — CID 63693086

IUPACN'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCN(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H31N3/c1-14(2)15-7-9-16(10-8-15)17(18-3)13-20(6)12-11-19(4)5/h7-10,14,17-18H,11-13H2,1-6H3
InChIKeyLKEXRBSNHGPMGB-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.56
Rot. Bonds8

About N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine

N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 63693086) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID63693086
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCN(C)C)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H31N3/c1-14(2)15-7-9-16(10-8-15)17(18-3)13-20(6)12-11-19(4)5/h7-10,14,17-18H,11-13H2,1-6H3
InChIKeyLKEXRBSNHGPMGB-UHFFFAOYSA-N
XLogP2.56
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-phenylethane-1,2-diamine
CID 14545863
N'-(2-ethoxyethyl)-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 81058237
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 63693627
N,N'-dimethyl-N'-phenyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63466730
N'-[2-(4-ethoxyphenyl)-2-(methylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63693996
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 63695538
N'-butyl-N,N'-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63465310
N'-[2-(dimethylamino)ethyl]-N'-methyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 63693085
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090
1-(4-chlorophenyl)-N,N'-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 55099254
1-(4-ethoxyphenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81035249
N'-(2-ethoxyethyl)-1-(4-methoxyphenyl)-N,N'-dimethylethane-1,2-diamine
CID 81056664

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine (CID 63693086) is N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is CNC(CN(C)CCN(C)C)c1ccc(C(C)C)cc1.
What is the InChIKey of N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is LKEXRBSNHGPMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14(2)15-7-9-16(10-8-15)17(18-3)13-20(6)12-11-19(4)5/h7-10,14,17-18H,11-13H2,1-6H3.
What are the key properties of N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine?
N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)ethyl]-N,N'-dimethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).