1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

C12H24N2O — CID 154195051

IUPAC1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCC1(N)CCCCC1NCC1CCCO1
InChIInChI=1S/C12H24N2O/c1-12(13)7-3-2-6-11(12)14-9-10-5-4-8-15-10/h10-11,14H,2-9,13H2,1H3
InChIKeyFZFRIVFRFVQFFJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds3

About 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine

1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (PubChem CID 154195051) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
PubChem CID154195051
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
SMILESCC1(N)CCCCC1NCC1CCCO1
InChIInChI=1S/C12H24N2O/c1-12(13)7-3-2-6-11(12)14-9-10-5-4-8-15-10/h10-11,14H,2-9,13H2,1H3
InChIKeyFZFRIVFRFVQFFJ-UHFFFAOYSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The IUPAC name of 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine (CID 154195051) is 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is CC1(N)CCCCC1NCC1CCCO1.
What is the InChIKey of 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
The InChIKey is FZFRIVFRFVQFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(13)7-3-2-6-11(12)14-9-10-5-4-8-15-10/h10-11,14H,2-9,13H2,1H3.
What are the key properties of 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine?
1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 154195051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).