4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine

C13H26N2O2 — CID 79116059

IUPAC4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(CC1CCOCO1)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-15(9-13-7-8-16-10-17-13)12-5-3-11(14)4-6-12/h11-13H,2-10,14H2,1H3
InChIKeyKNKQAERGYKRIDV-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.34
Rot. Bonds4

About 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine

4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine (PubChem CID 79116059) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
PubChem CID79116059
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
SMILESCCN(CC1CCOCO1)C1CCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-2-15(9-13-7-8-16-10-17-13)12-5-3-11(14)4-6-12/h11-13H,2-10,14H2,1H3
InChIKeyKNKQAERGYKRIDV-UHFFFAOYSA-N
XLogP1.34
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-dioxan-4-ylmethyl)-N-ethylpiperidin-4-amine
CID 60806783
4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
CID 79115797
ethyl 2-[cyclopropyl(1,3-dioxan-4-ylmethyl)amino]acetate
CID 62027799
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
N-(1,3-dioxan-4-ylmethyl)-N-propylpiperidin-3-amine
CID 63637854
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
N-(1,3-dioxan-4-ylmethyl)-N-methylpropan-2-amine
CID 130677377
4-N-ethyl-4-N-(thian-3-ylmethyl)cyclohexane-1,4-diamine
CID 114283045
ethyl 2-[1,3-dioxan-4-ylmethyl(methyl)amino]acetate
CID 55208525
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine (CID 79116059) is 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine is CCN(CC1CCOCO1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine?
The InChIKey is KNKQAERGYKRIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-15(9-13-7-8-16-10-17-13)12-5-3-11(14)4-6-12/h11-13H,2-10,14H2,1H3.
What are the key properties of 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine?
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine has a molecular weight of 242.36 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine is sourced from PubChem (CID 79116059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).