4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine

C14H28N2O — CID 79115797

IUPAC4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(CC1CCCCO1)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-2-16(11-14-5-3-4-10-17-14)13-8-6-12(15)7-9-13/h12-14H,2-11,15H2,1H3
InChIKeyJFCNPFQCGOUJTR-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds4

About 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79115797) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79115797
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(CC1CCCCO1)C1CCC(N)CC1
InChIInChI=1S/C14H28N2O/c1-2-16(11-14-5-3-4-10-17-14)13-8-6-12(15)7-9-13/h12-14H,2-11,15H2,1H3
InChIKeyJFCNPFQCGOUJTR-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-1-N-(oxolan-2-ylmethyl)cyclobutane-1,3-diamine
CID 80561605
4-N-(1,3-dioxan-4-ylmethyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116059
N-ethyl-N-(oxiran-2-ylmethyl)cyclopropanamine
CID 43264170
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclopentanamine
CID 63389279
N'-cyclopentyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 43591816
N-ethyl-N-(oxolan-2-ylmethyl)piperidin-3-amine
CID 61434221
N-(2-chloroethyl)-N-(oxan-2-ylmethyl)cyclohexanamine
CID 63386966
[1-amino-3-[ethyl(oxolan-2-ylmethyl)amino]cyclopentyl]methanol
CID 79656703
N-(2-chloroethyl)-N-(oxolan-2-ylmethyl)cyclopentanamine
CID 63388993
4-N-ethyl-4-N-(thian-3-ylmethyl)cyclohexane-1,4-diamine
CID 114283045
1-[(2R)-oxan-2-yl]-N,N-bis[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124860098
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine (CID 79115797) is 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine is CCN(CC1CCCCO1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is JFCNPFQCGOUJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-16(11-14-5-3-4-10-17-14)13-8-6-12(15)7-9-13/h12-14H,2-11,15H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(oxan-2-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).