2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine

C18H32N2 — CID 63470602

IUPAC2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-6-15(4)13-18(7-2,14-19)20(8-3)17-11-9-10-16(5)12-17/h9-12,15H,6-8,13-14,19H2,1-5H3
InChIKeyILZWZZAVYPWSPX-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.37
Rot. Bonds8

About 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine

2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine (PubChem CID 63470602) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine
PubChem CID63470602
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine
SMILESCCC(C)CC(CC)(CN)N(CC)c1cccc(C)c1
InChIInChI=1S/C18H32N2/c1-6-15(4)13-18(7-2,14-19)20(8-3)17-11-9-10-16(5)12-17/h9-12,15H,6-8,13-14,19H2,1-5H3
InChIKeyILZWZZAVYPWSPX-UHFFFAOYSA-N
XLogP4.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-bromo-2-(bromomethyl)-4-methylhexan-2-yl]-3-methylbenzene
CID 79455740
2-(ethylamino)-4-(N-ethyl-3-methylanilino)-2-methylpentanamide
CID 64711772
1-(N-ethyl-3-methylanilino)propan-1-ol
CID 21331015
2-cyclopropyl-2-N-methyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 64918033
(2S)-2-amino-N-ethyl-3-methyl-N-(3-methylphenyl)butanamide
CID 22690792
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
2-N,4,4-trimethyl-2-N-(3-methylphenyl)pentane-1,2-diamine
CID 62950232
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
1-N-ethyl-1-N-(2-methylbutyl)-1-(3-methylphenyl)propane-1,2-diamine
CID 79477378
2-N-ethyl-1-N-(2-methylbutan-2-yl)-2-N-(3-methylphenyl)propane-1,2-diamine
CID 63502531
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
1-N,2-N-diethyl-2-N-(3-methylphenyl)butane-1,2-diamine
CID 62427810

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine (CID 63470602) is 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine is CCC(C)CC(CC)(CN)N(CC)c1cccc(C)c1.
What is the InChIKey of 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine?
The InChIKey is ILZWZZAVYPWSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-6-15(4)13-18(7-2,14-19)20(8-3)17-11-9-10-16(5)12-17/h9-12,15H,6-8,13-14,19H2,1-5H3.
What are the key properties of 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine?
2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine has a molecular weight of 276.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-4-methyl-2-N-(3-methylphenyl)hexane-1,2-diamine is sourced from PubChem (CID 63470602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).