4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine

C14H30N2 — CID 79116009

IUPAC4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(CCC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H30N2/c1-5-16(11-10-14(2,3)4)13-8-6-12(15)7-9-13/h12-13H,5-11,15H2,1-4H3
InChIKeyGJMXYSZIXFPMDN-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds4

About 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine

4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79116009) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79116009
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(CCC(C)(C)C)C1CCC(N)CC1
InChIInChI=1S/C14H30N2/c1-5-16(11-10-14(2,3)4)13-8-6-12(15)7-9-13/h12-13H,5-11,15H2,1-4H3
InChIKeyGJMXYSZIXFPMDN-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
CID 64677718
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
4-[cyclopropyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248437
N-(2,2-dimethylpropyl)-N-ethylcyclopropanamine
CID 67816379
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
4-N-but-2-ynyl-4-N-ethylcyclohexane-1,4-diamine
CID 79115467

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine (CID 79116009) is 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine is CCN(CCC(C)(C)C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is GJMXYSZIXFPMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-16(11-10-14(2,3)4)13-8-6-12(15)7-9-13/h12-13H,5-11,15H2,1-4H3.
What are the key properties of 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine?
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79116009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).