2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

C17H28N2 — CID 103781596

IUPAC2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(C)c(C(C)NCC(C)N(C)C2CC2)c1
InChIInChI=1S/C17H28N2/c1-12-6-7-13(2)17(10-12)15(4)18-11-14(3)19(5)16-8-9-16/h6-7,10,14-16,18H,8-9,11H2,1-5H3
InChIKeyLRLRWRAAJJDZEW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.44
Rot. Bonds6

About 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine

2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (PubChem CID 103781596) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
PubChem CID103781596
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine
SMILESCc1ccc(C)c(C(C)NCC(C)N(C)C2CC2)c1
InChIInChI=1S/C17H28N2/c1-12-6-7-13(2)17(10-12)15(4)18-11-14(3)19(5)16-8-9-16/h6-7,10,14-16,18H,8-9,11H2,1-5H3
InChIKeyLRLRWRAAJJDZEW-UHFFFAOYSA-N
XLogP3.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 115641493
2-[1-[2-[cyclopropyl(methyl)amino]propylamino]ethyl]-4-fluorophenol
CID 104582321
2-N-cyclopropyl-1-N-[1-(2,3-dichlorophenyl)ethyl]-2-N-methylpropane-1,2-diamine
CID 103781583
N-[1-(2,5-dimethylphenyl)ethyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63983887
1-[1-(2,5-dimethylphenyl)ethylamino]pentan-3-ol
CID 115729117
1-(2,5-dimethylphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385424
1-(2,5-dimethylphenyl)-N-(thiolan-3-ylmethyl)ethanamine
CID 107131699
1-N-[1-(1-benzofuran-2-yl)ethyl]-2-N-cyclopropyl-2-N-methylpropane-1,2-diamine
CID 103781695
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
CID 104582175
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
4-[[1-(2,5-dimethylphenyl)ethylamino]methyl]-N,N-dimethylaniline
CID 43081375
1-(2,5-dimethylphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 54917016

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine (CID 103781596) is 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is Cc1ccc(C)c(C(C)NCC(C)N(C)C2CC2)c1.
What is the InChIKey of 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
The InChIKey is LRLRWRAAJJDZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-6-7-13(2)17(10-12)15(4)18-11-14(3)19(5)16-8-9-16/h6-7,10,14-16,18H,8-9,11H2,1-5H3.
What are the key properties of 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine?
2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-[1-(2,5-dimethylphenyl)ethyl]-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 103781596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).