1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine

C15H26N2 — CID 61077134

IUPAC1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-4-6-9-14(16)12-17(5-2)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12,16H2,1-3H3
InChIKeyNKYQWNQERYDASV-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.34
Rot. Bonds7

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

1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine (PubChem CID 61077134) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
PubChem CID61077134
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine
SMILESCCCCC(N)CN(CC)c1cccc(C)c1
InChIInChI=1S/C15H26N2/c1-4-6-9-14(16)12-17(5-2)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12,16H2,1-3H3
InChIKeyNKYQWNQERYDASV-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(3-methylphenyl)heptane-1,2-diamine
CID 70562883
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
N,N-dibutyl-3-methylaniline
CID 15332677
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-N-ethyl-3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 63532934
N'-ethyl-1-(2-methoxyphenyl)-N'-(3-methylphenyl)ethane-1,2-diamine
CID 61076765
N'-butyl-N'-(3-methylphenyl)propane-1,3-diamine
CID 43136076
1-(N-ethyl-3-methylanilino)-3-[4-[3-(N-ethyl-3-methylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133401
1-(N-ethyl-3-methylanilino)propan-2-yl hydrogen sulfite
CID 91035286
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
CID 138691667
CID 138691667
N-(3-bromo-2-phenylpropyl)-N-ethyl-3-methylaniline
CID 65016452

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine?
The IUPAC name of 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine (CID 61077134) is 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine is CCCCC(N)CN(CC)c1cccc(C)c1.
What is the InChIKey of 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine?
The InChIKey is NKYQWNQERYDASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-6-9-14(16)12-17(5-2)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12,16H2,1-3H3.
What are the key properties of 1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine?
1-N-ethyl-1-N-(3-methylphenyl)hexane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 3.34, 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-(3-methylphenyl)hexane-1,2-diamine is sourced from PubChem (CID 61077134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).