3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine

C16H28N2 — CID 43102172

IUPAC3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-5-15(6-2)16(11-17)18(4)12-14-9-7-13(3)8-10-14/h7-10,15-16H,5-6,11-12,17H2,1-4H3
InChIKeyUSOZFGZYIWSDGM-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.19
Rot. Bonds7

About 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine

3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (PubChem CID 43102172) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
PubChem CID43102172
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)Cc1ccc(C)cc1
InChIInChI=1S/C16H28N2/c1-5-15(6-2)16(11-17)18(4)12-14-9-7-13(3)8-10-14/h7-10,15-16H,5-6,11-12,17H2,1-4H3
InChIKeyUSOZFGZYIWSDGM-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43211746
3-ethyl-2-N-[(3-methoxyphenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 61420033
2-N-methyl-2-N-[(4-methylphenyl)methyl]heptane-1,2-diamine
CID 43130465
2-N-[(4-fluorophenyl)methyl]-2-N-methylbutane-1,2-diamine
CID 61413577
tert-butyl N-[4-amino-3-[methyl-[(4-methylphenyl)methyl]amino]butan-2-yl]carbamate
CID 102729509
1-(furan-2-yl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43211734
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
2-N-methyl-2-N-[(4-methylphenyl)methyl]-5-methylsulfanylpentane-1,2-diamine
CID 103088584
1-(3,4-dimethylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]ethane-1,2-diamine
CID 43753470
3-ethyl-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 43105468
1-methyl-1-[(4-methylphenyl)methyl]hydrazine
CID 82280119
2-N-[(4-methoxyphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 61420599

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine (CID 43102172) is 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is CCC(CC)C(CN)N(C)Cc1ccc(C)cc1.
What is the InChIKey of 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
The InChIKey is USOZFGZYIWSDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-5-15(6-2)16(11-17)18(4)12-14-9-7-13(3)8-10-14/h7-10,15-16H,5-6,11-12,17H2,1-4H3.
What are the key properties of 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine?
3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 43102172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).