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

C15H24N2 — CID 65382922

IUPACN-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)NCC2CC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-10-6-11(2)15(12(3)7-10)14(8-16)17-9-13-4-5-13/h6-7,13-14,17H,4-5,8-9,16H2,1-3H3
InChIKeyDXPFXKOAHJJCLJ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.61
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 65382922) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID65382922
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C(CN)NCC2CC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-10-6-11(2)15(12(3)7-10)14(8-16)17-9-13-4-5-13/h6-7,13-14,17H,4-5,8-9,16H2,1-3H3
InChIKeyDXPFXKOAHJJCLJ-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
N-prop-2-enyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 65383239
N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-(cyclopropylmethyl)-1-(3,5-dichlorophenyl)ethane-1,2-diamine
CID 65385030
N-[[1-(3-aminopropyl)piperidin-4-yl]methyl]-1,5-bis(2,4,6-trimethylphenyl)pentan-1-amine
CID 70621295
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822344
2-cyclobutyloxy-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 62116834
N'-(cyclopropylmethyl)-N'-methyl-N-propyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 63468848
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118585
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
N-(cyclopropylmethyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethane-1,2-diamine
CID 65384605

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 65382922) is N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C(CN)NCC2CC2)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is DXPFXKOAHJJCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-6-11(2)15(12(3)7-10)14(8-16)17-9-13-4-5-13/h6-7,13-14,17H,4-5,8-9,16H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65382922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).