N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine

C15H26N2 — CID 116935034

IUPACN'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C)c(C(N)CNC(C)C)c1C
InChIInChI=1S/C15H26N2/c1-9(2)17-8-14(16)15-12(5)10(3)7-11(4)13(15)6/h7,9,14,17H,8,16H2,1-6H3
InChIKeyNYSDYTQNKUGBRL-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.92
Rot. Bonds4

About N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine

N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine (PubChem CID 116935034) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
PubChem CID116935034
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(C)c(C(N)CNC(C)C)c1C
InChIInChI=1S/C15H26N2/c1-9(2)17-8-14(16)15-12(5)10(3)7-11(4)13(15)6/h7,9,14,17H,8,16H2,1-6H3
InChIKeyNYSDYTQNKUGBRL-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935061
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 116937694
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046
1-(5-chloro-2-methoxy-4-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935045
1-(2-methoxy-3,4,6-trimethylphenyl)-N'-methylethane-1,2-diamine
CID 116932540
1-(4-ethoxy-3-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935047
N,3-dimethyl-2-(2,3,5,6-tetramethylphenyl)butan-1-amine
CID 82082953
methyl 5-amino-5-(2,3,5,6-tetramethylphenyl)pentanoate
CID 54927569
methyl 2-[2-amino-2-(2,3,5,6-tetramethylphenyl)ethoxy]acetate
CID 61329545
2-(4-chlorophenyl)-1-(2,3,5,6-tetramethylphenyl)ethanamine
CID 43337996
N'-[2-amino-2-(2,4,6-trimethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808820

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine (CID 116935034) is N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(C)c(C(N)CNC(C)C)c1C.
What is the InChIKey of N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine?
The InChIKey is NYSDYTQNKUGBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-9(2)17-8-14(16)15-12(5)10(3)7-11(4)13(15)6/h7,9,14,17H,8,16H2,1-6H3.
What are the key properties of N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine?
N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-1-(2,3,5,6-tetramethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116935034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).