2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine

C17H30N2 — CID 115251583

IUPAC2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-6-15(10-18)11-19(5)12-17-9-16(13(2)3)8-7-14(17)4/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyLCJRCRJCNXZKPG-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.54
Rot. Bonds7

About 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine

2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine (PubChem CID 115251583) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
PubChem CID115251583
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cc(C(C)C)ccc1C
InChIInChI=1S/C17H30N2/c1-6-15(10-18)11-19(5)12-17-9-16(13(2)3)8-7-14(17)4/h7-9,13,15H,6,10-12,18H2,1-5H3
InChIKeyLCJRCRJCNXZKPG-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251540
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047
3-amino-N,2-dimethyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propanamide
CID 115153748
1-N,2-N,2-trimethyl-1-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115222369
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
1-(azetidin-3-yl)-N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]methanamine
CID 115207690
2-ethyl-N'-[(4-methoxy-3-methylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251543
N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251716

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine (CID 115251583) is 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine is CCC(CN)CN(C)Cc1cc(C(C)C)ccc1C.
What is the InChIKey of 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
The InChIKey is LCJRCRJCNXZKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-15(10-18)11-19(5)12-17-9-16(13(2)3)8-7-14(17)4/h7-9,13,15H,6,10-12,18H2,1-5H3.
What are the key properties of 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine?
2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115251583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).