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

C17H30N2 — CID 79477378

IUPAC1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C17H30N2/c1-6-13(3)12-19(7-2)17(15(5)18)16-10-8-9-14(4)11-16/h8-11,13,15,17H,6-7,12,18H2,1-5H3
InChIKeyKCEPMJDYHGQPON-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.75
Rot. Bonds7

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

1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine (PubChem CID 79477378) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
PubChem CID79477378
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
SMILESCCC(C)CN(CC)C(c1cccc(C)c1)C(C)N
InChIInChI=1S/C17H30N2/c1-6-13(3)12-19(7-2)17(15(5)18)16-10-8-9-14(4)11-16/h8-11,13,15,17H,6-7,12,18H2,1-5H3
InChIKeyKCEPMJDYHGQPON-UHFFFAOYSA-N
XLogP3.75
TPSA29.26 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-(2-methylbutyl)-1-phenylpropane-1,2-diamine
CID 79476713
3-[[2-amino-1-(3-methylphenyl)propyl]-ethylamino]-2-methylpropanenitrile
CID 55020222
1-N-(cyclobutylmethyl)-1-N-ethyl-1-(3-methylphenyl)propane-1,2-diamine
CID 107397326
N'-methyl-N'-(2-methylbutyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308743
N'-butan-2-yl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308741
1-(3-bromophenyl)-1-N-ethyl-1-N-(2-ethylbutyl)propane-1,2-diamine
CID 63406056
3-[1-[ethyl(2-methylbutyl)amino]ethyl]aniline
CID 79476910
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
2-[[2-amino-1-(3-methylphenyl)butyl]-ethylamino]acetamide
CID 103101288
1-(3-chlorophenyl)-1-N-ethyl-1-N-propylpropane-1,2-diamine
CID 55019355
2-[[2-amino-1-(3-methylphenyl)propyl]-propan-2-ylamino]acetamide
CID 55020220
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine (CID 79477378) is 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine is CCC(C)CN(CC)C(c1cccc(C)c1)C(C)N.
What is the InChIKey of 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine?
The InChIKey is KCEPMJDYHGQPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-13(3)12-19(7-2)17(15(5)18)16-10-8-9-14(4)11-16/h8-11,13,15,17H,6-7,12,18H2,1-5H3.
What are the key properties of 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine?
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine is sourced from PubChem (CID 79477378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).