1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine

C14H30N2 — CID 90929652

IUPAC1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine
SMILESCCN(CC)C1(N(CC)CC)CCCCC1
InChIInChI=1S/C14H30N2/c1-5-15(6-2)14(16(7-3)8-4)12-10-9-11-13-14/h5-13H2,1-4H3
InChIKeyNWGIWIOMBCVACV-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.33
Rot. Bonds6

About 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine

1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine (PubChem CID 90929652) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine
PubChem CID90929652
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine
SMILESCCN(CC)C1(N(CC)CC)CCCCC1
InChIInChI=1S/C14H30N2/c1-5-15(6-2)14(16(7-3)8-4)12-10-9-11-13-14/h5-13H2,1-4H3
InChIKeyNWGIWIOMBCVACV-UHFFFAOYSA-N
XLogP3.33
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine (CID 90929652) is 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine is CCN(CC)C1(N(CC)CC)CCCCC1.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine?
The InChIKey is NWGIWIOMBCVACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-15(6-2)14(16(7-3)8-4)12-10-9-11-13-14/h5-13H2,1-4H3.
What are the key properties of 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine?
1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetraethylcyclohexane-1,1-diamine is sourced from PubChem (CID 90929652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).