1-N,1-N'-dicyclohexylethane-1,1-diamine

C14H28N2 — CID 20594547

IUPAC1-N,1-N'-dicyclohexylethane-1,1-diamine
SMILESCC(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H28N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h12-16H,2-11H2,1H3
InChIKeyDERWGHBMHZHIMK-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.18
Rot. Bonds4

About 1-N,1-N'-dicyclohexylethane-1,1-diamine

1-N,1-N'-dicyclohexylethane-1,1-diamine (PubChem CID 20594547) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-N,1-N'-dicyclohexylethane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dicyclohexylethane-1,1-diamine
PubChem CID20594547
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-N,1-N'-dicyclohexylethane-1,1-diamine
SMILESCC(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C14H28N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h12-16H,2-11H2,1H3
InChIKeyDERWGHBMHZHIMK-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dicyclohexylamine
CID 7582
Dicyclohexylammonium
CID 3770554
1,3-Dicyclohexyl-1-ethylurea
CID 4089976
Methylene-bis(cyclohexylamine)
CID 12447459
N-cyclohexyl-hexahydropyrimidine
CID 12676278
N,N'-dimethylcyclohexanediamine
CID 19820140
N-cyclohexylcyclohexane-1,1-diamine
CID 20469228
N,N'-dipropylcyclohexanediamine
CID 129668820
N-(4-Aminocyclohexyl)-1,4-cyclohexanediamine
CID 417227
2-N,2-N'-dicyclohexyl-1-fluoropropane-2,2-diamine
CID 166070163
Dicyclohexyl(methyl)azanium
CID 21982025
1-N,2-N-dicyclohexylpropane-1,2-diamine
CID 22765259

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dicyclohexylethane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dicyclohexylethane-1,1-diamine (CID 20594547) is 1-N,1-N'-dicyclohexylethane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dicyclohexylethane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dicyclohexylethane-1,1-diamine is CC(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-N,1-N'-dicyclohexylethane-1,1-diamine?
The InChIKey is DERWGHBMHZHIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(15-13-8-4-2-5-9-13)16-14-10-6-3-7-11-14/h12-16H,2-11H2,1H3.
What are the key properties of 1-N,1-N'-dicyclohexylethane-1,1-diamine?
1-N,1-N'-dicyclohexylethane-1,1-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dicyclohexylethane-1,1-diamine is sourced from PubChem (CID 20594547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).