2-methoxycyclohexane-1,1-diamine

C7H16N2O — CID 22418278

IUPAC2-methoxycyclohexane-1,1-diamine
SMILESCOC1CCCCC1(N)N
InChIInChI=1S/C7H16N2O/c1-10-6-4-2-3-5-7(6,8)9/h6H,2-5,8-9H2,1H3
InChIKeyUKGCKKMMNGGFTC-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.19
Rot. Bonds1

About 2-methoxycyclohexane-1,1-diamine

2-methoxycyclohexane-1,1-diamine (PubChem CID 22418278) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-methoxycyclohexane-1,1-diamine.

Molecular Properties

Compound Name2-methoxycyclohexane-1,1-diamine
PubChem CID22418278
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name2-methoxycyclohexane-1,1-diamine
SMILESCOC1CCCCC1(N)N
InChIInChI=1S/C7H16N2O/c1-10-6-4-2-3-5-7(6,8)9/h6H,2-5,8-9H2,1H3
InChIKeyUKGCKKMMNGGFTC-UHFFFAOYSA-N
XLogP0.19
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-methoxycyclohexane-1,1-diamine?
The IUPAC name of 2-methoxycyclohexane-1,1-diamine (CID 22418278) is 2-methoxycyclohexane-1,1-diamine.
What is the SMILES notation for 2-methoxycyclohexane-1,1-diamine?
The canonical SMILES for 2-methoxycyclohexane-1,1-diamine is COC1CCCCC1(N)N.
What is the InChIKey of 2-methoxycyclohexane-1,1-diamine?
The InChIKey is UKGCKKMMNGGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-10-6-4-2-3-5-7(6,8)9/h6H,2-5,8-9H2,1H3.
What are the key properties of 2-methoxycyclohexane-1,1-diamine?
2-methoxycyclohexane-1,1-diamine has a molecular weight of 144.22 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohexane-1,1-diamine is sourced from PubChem (CID 22418278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).