N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

C17H30N2 — CID 43272065

IUPACN'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(N)CN(C)CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-13(2)10-15-6-8-16(9-7-15)17(18)12-19(5)11-14(3)4/h6-9,13-14,17H,10-12,18H2,1-5H3
InChIKeyTYGMVAUBJFYVEF-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.47
Rot. Bonds7

About N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine

N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (PubChem CID 43272065) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
PubChem CID43272065
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
SMILESCC(C)Cc1ccc(C(N)CN(C)CC(C)C)cc1
InChIInChI=1S/C17H30N2/c1-13(2)10-15-6-8-16(9-7-15)17(18)12-19(5)11-14(3)4/h6-9,13-14,17H,10-12,18H2,1-5H3
InChIKeyTYGMVAUBJFYVEF-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclopentylmethyl)-N'-methyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 63631762
2,2-dimethyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43093450
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-N,1-N-dimethyl-1-[4-(2-methylpropyl)phenyl]butane-1,3-diamine
CID 116904791
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
N'-methyl-N'-(2-methylbutyl)-1-(4-propylphenyl)ethane-1,2-diamine
CID 43295696
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981
1-[4-(2-methylpropyl)phenyl]-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275431
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-methylamino]acetic acid
CID 82217025

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine (CID 43272065) is N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is CC(C)Cc1ccc(C(N)CN(C)CC(C)C)cc1.
What is the InChIKey of N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
The InChIKey is TYGMVAUBJFYVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-13(2)10-15-6-8-16(9-7-15)17(18)12-19(5)11-14(3)4/h6-9,13-14,17H,10-12,18H2,1-5H3.
What are the key properties of N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine?
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 43272065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).