2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine

C17H30N2 — CID 63502872

IUPAC2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H30N2/c1-6-9-15(4)18-13-16(5)19(7-2)17-11-8-10-14(3)12-17/h8,10-12,15-16,18H,6-7,9,13H2,1-5H3
InChIKeyBILZBIYLPHKSJA-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.99
Rot. Bonds8

About 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine

2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine (PubChem CID 63502872) 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-pentan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
PubChem CID63502872
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine
SMILESCCCC(C)NCC(C)N(CC)c1cccc(C)c1
InChIInChI=1S/C17H30N2/c1-6-9-15(4)18-13-16(5)19(7-2)17-11-8-10-14(3)12-17/h8,10-12,15-16,18H,6-7,9,13H2,1-5H3
InChIKeyBILZBIYLPHKSJA-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
1-N-cyclopentyl-2-N-ethyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 62570686
2-N-ethyl-3-methyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 63491028
2-N-ethyl-2-N-(3-methylphenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55195045
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
2-N,2-N-dimethyl-1-N-[4-(3-methylphenyl)butan-2-yl]propane-1,2-diamine
CID 61169167
4-(N-ethyl-3-methylanilino)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64825867
N-ethyl-3-methyl-N-[1-(4-methylphenoxy)ethyl]aniline
CID 70632774
N-ethyl-3-methyl-N-(1-phenoxyethyl)aniline
CID 21484944
N-(3-methylphenyl)-2-(pentan-2-ylamino)acetamide
CID 43179547

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine (CID 63502872) is 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine is CCCC(C)NCC(C)N(CC)c1cccc(C)c1.
What is the InChIKey of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
The InChIKey is BILZBIYLPHKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-9-15(4)18-13-16(5)19(7-2)17-11-8-10-14(3)12-17/h8,10-12,15-16,18H,6-7,9,13H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine?
2-N-ethyl-2-N-(3-methylphenyl)-1-N-pentan-2-ylpropane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.99, 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-pentan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 63502872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).