1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine

C11H22N2O — CID 82726265

IUPAC1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine
SMILESCC1OCCC1NC1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h8-11,13H,2-7,12H2,1H3
InChIKeyNNBURUSNJXVKQH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds2

About 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine

1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine (PubChem CID 82726265) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine
PubChem CID82726265
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine
SMILESCC1OCCC1NC1CCCC(N)C1
InChIInChI=1S/C11H22N2O/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h8-11,13H,2-7,12H2,1H3
InChIKeyNNBURUSNJXVKQH-UHFFFAOYSA-N
XLogP1.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine (CID 82726265) is 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine is CC1OCCC1NC1CCCC(N)C1.
What is the InChIKey of 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine?
The InChIKey is NNBURUSNJXVKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-11(5-6-14-8)13-10-4-2-3-9(12)7-10/h8-11,13H,2-7,12H2,1H3.
What are the key properties of 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine?
1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine has a molecular weight of 198.31 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methyloxolan-3-yl)cyclohexane-1,3-diamine is sourced from PubChem (CID 82726265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).