N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C18H30N2 — CID 63880271

IUPACN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-12-7-14(3)18(15(4)8-12)17(19-5)11-20(6)10-16-9-13(16)2/h7-8,13,16-17,19H,9-11H2,1-6H3
InChIKeyQWQPYPXYRVDVRL-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds6

About N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 63880271) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID63880271
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCNC(CN(C)CC1CC1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C18H30N2/c1-12-7-14(3)18(15(4)8-12)17(19-5)11-20(6)10-16-9-13(16)2/h7-8,13,16-17,19H,9-11H2,1-6H3
InChIKeyQWQPYPXYRVDVRL-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 63880271) is N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is CNC(CN(C)CC1CC1C)c1c(C)cc(C)cc1C.
What is the InChIKey of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is QWQPYPXYRVDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-12-7-14(3)18(15(4)8-12)17(19-5)11-20(6)10-16-9-13(16)2/h7-8,13,16-17,19H,9-11H2,1-6H3.
What are the key properties of N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63880271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).