N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

C16H26N2 — CID 54884594

IUPACN'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(N)CN(C)CC2CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18(4)9-14-5-6-14/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyJSQCVFKAZADMRG-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds5

About N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 54884594) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID54884594
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(N)CN(C)CC2CC2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18(4)9-14-5-6-14/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyJSQCVFKAZADMRG-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 54884594) is N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C(N)CN(C)CC2CC2)c(C)c1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is JSQCVFKAZADMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)15(17)10-18(4)9-14-5-6-14/h7-8,14-15H,5-6,9-10,17H2,1-4H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 54884594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).