N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

C15H26N2 — CID 61077133

IUPACN-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-14(4)16-10-11-17(6-2)15-9-7-8-13(3)12-15/h7-9,12,14,16H,5-6,10-11H2,1-4H3
InChIKeyWTHUYKPRIAWGLC-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.21
Rot. Bonds7

About N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine

N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (PubChem CID 61077133) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
PubChem CID61077133
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-5-14(4)16-10-11-17(6-2)15-9-7-8-13(3)12-15/h7-9,12,14,16H,5-6,10-11H2,1-4H3
InChIKeyWTHUYKPRIAWGLC-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-ethyl-N'-(3-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 20811771
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
1-N-ethyl-1-N-(3-methylphenyl)-4-N-propylhexane-1,4-diamine
CID 106799445
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
CID 138691667
CID 138691667
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N-[2-(N-ethyl-3-methylanilino)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62561635
N-(cyclopropylmethyl)-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61077282
ethane;2-(N-ethyl-3-methylanilino)ethanol
CID 142945476
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
N-tert-butyl-N'-ethyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 61077284
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111029987

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine (CID 61077133) is N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is CCC(C)NCCN(CC)c1cccc(C)c1.
What is the InChIKey of N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
The InChIKey is WTHUYKPRIAWGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(4)16-10-11-17(6-2)15-9-7-8-13(3)12-15/h7-9,12,14,16H,5-6,10-11H2,1-4H3.
What are the key properties of N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine?
N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-ethyl-N'-(3-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61077133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).