2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine

C17H30N2 — CID 63502531

IUPAC2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(C)CNC(C)(C)CC
InChIInChI=1S/C17H30N2/c1-7-17(5,6)18-13-15(4)19(8-2)16-11-9-10-14(3)12-16/h9-12,15,18H,7-8,13H2,1-6H3
InChIKeyLHFFSCWUTFJKDL-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.99
Rot. Bonds7

About 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine

2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine (PubChem CID 63502531) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
PubChem CID63502531
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
SMILESCCN(c1cccc(C)c1)C(C)CNC(C)(C)CC
InChIInChI=1S/C17H30N2/c1-7-17(5,6)18-13-15(4)19(8-2)16-11-9-10-14(3)12-16/h9-12,15,18H,7-8,13H2,1-6H3
InChIKeyLHFFSCWUTFJKDL-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
CID 63502872
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
CID 64711772
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810
N-[1-(N-ethyl-3-methylanilino)ethyl]methanesulfonamide
CID 101321416
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
2-N-ethyl-3-methoxy-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 103225832

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine (CID 63502531) is 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine is CCN(c1cccc(C)c1)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is LHFFSCWUTFJKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-7-17(5,6)18-13-15(4)19(8-2)16-11-9-10-14(3)12-16/h9-12,15,18H,7-8,13H2,1-6H3.
What are the key properties of 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine?
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 63502531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).