1-cyclohexylethane-1,2-diamine

C8H18N2 — CID 18705586

IUPAC1-cyclohexylethane-1,2-diamine
SMILESNCC(N)C1CCCCC1
InChIInChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2
InChIKeyZGITYUSQHMGSRF-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds2

About 1-cyclohexylethane-1,2-diamine

1-cyclohexylethane-1,2-diamine (PubChem CID 18705586) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexylethane-1,2-diamine
PubChem CID18705586
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-cyclohexylethane-1,2-diamine
SMILESNCC(N)C1CCCCC1
InChIInChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2
InChIKeyZGITYUSQHMGSRF-UHFFFAOYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylethane-1,2-diamine?
The IUPAC name of 1-cyclohexylethane-1,2-diamine (CID 18705586) is 1-cyclohexylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexylethane-1,2-diamine is NCC(N)C1CCCCC1.
What is the InChIKey of 1-cyclohexylethane-1,2-diamine?
The InChIKey is ZGITYUSQHMGSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2.
What are the key properties of 1-cyclohexylethane-1,2-diamine?
1-cyclohexylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 18705586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).