2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

C14H30N2 — CID 62260337

IUPAC2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(C)(CN)CN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-5-14(3,10-15)11-16(4)13-9-7-6-8-12(13)2/h12-13H,5-11,15H2,1-4H3
InChIKeyOTZWSYUWMKEFFK-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.87
Rot. Bonds5

About 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine

2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (PubChem CID 62260337) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
PubChem CID62260337
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
SMILESCCC(C)(CN)CN(C)C1CCCCC1C
InChIInChI=1S/C14H30N2/c1-5-14(3,10-15)11-16(4)13-9-7-6-8-12(13)2/h12-13H,5-11,15H2,1-4H3
InChIKeyOTZWSYUWMKEFFK-UHFFFAOYSA-N
XLogP2.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 79811731
2-methyl-1-[methyl-(2-methylcyclohexyl)amino]butan-2-ol
CID 114495525
N'-methyl-N-(2-methylbutan-2-yl)-N'-(2-methylcyclohexyl)ethane-1,2-diamine
CID 62558034
3,3-dimethyl-4-[methyl-(2-methylcyclohexyl)amino]butan-2-one
CID 66452296
N,N',2,2-tetramethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine
CID 62260508
1-N,3-N,2,2-tetramethyl-1-N-(2-methylcyclohexyl)butane-1,3-diamine
CID 66453647
1-N,2,2-trimethyl-1-N-(2-methylcyclohexyl)-3-N-propylbutane-1,3-diamine
CID 66453429
trans-(1S,2S)-1-N,2-N-bis(2,2-dimethylpropyl)-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 59492154
2-[[2-(ethylaminomethyl)-2-methylbutyl]-methylamino]cyclohexan-1-ol
CID 102637047
N-tert-butyl-N,2-dimethylcyclohexan-1-amine
CID 139320124
1-(aminomethyl)-4-tert-butyl-N-methyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 63465218
1-N,2-N-dimethyl-1-N-(2-methylcyclohexyl)butane-1,2-diamine
CID 62040568

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine (CID 62260337) is 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is CCC(C)(CN)CN(C)C1CCCCC1C.
What is the InChIKey of 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is OTZWSYUWMKEFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(3,10-15)11-16(4)13-9-7-6-8-12(13)2/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine?
2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',2-dimethyl-N'-(2-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 62260337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).