2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

C17H30N2 — CID 55195045

IUPAC2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H30N2/c1-6-16(13-18-12-14(3)4)19(7-2)17-10-8-9-15(5)11-17/h8-11,14,16,18H,6-7,12-13H2,1-5H3
InChIKeyPMJMCHUMJBEOEP-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.85
Rot. Bonds8

About 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine

2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 55195045) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID55195045
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNCC(C)C)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H30N2/c1-6-16(13-18-12-14(3)4)19(7-2)17-10-8-9-15(5)11-17/h8-11,14,16,18H,6-7,12-13H2,1-5H3
InChIKeyPMJMCHUMJBEOEP-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
1-N-cyclopropyl-2-N-ethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427985
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416
2-[1-(N-ethyl-3-methylanilino)ethyl]-4-methylphenol
CID 82982263
4-amino-3-(N-ethyl-3-methylanilino)-N-methylbutanamide
CID 66428621
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine (CID 55195045) is 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is CCC(CNCC(C)C)N(CC)c1cccc(C)c1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is PMJMCHUMJBEOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-16(13-18-12-14(3)4)19(7-2)17-10-8-9-15(5)11-17/h8-11,14,16,18H,6-7,12-13H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine?
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 55195045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).