(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine

C12H24N2O — CID 58381295

IUPAC(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
SMILESCC1(N[C@@H]2CCOC[C@H]2N)CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3/t10-,11-/m1/s1
InChIKeyUGIKJLOXFBHPJV-GHMZBOCLSA-N
MW212.34 g/mol
LogP1.41
Rot. Bonds2

About (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine

(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine (PubChem CID 58381295) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine.

Molecular Properties

Compound Name(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
PubChem CID58381295
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
SMILESCC1(N[C@@H]2CCOC[C@H]2N)CCCCC1
InChIInChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3/t10-,11-/m1/s1
InChIKeyUGIKJLOXFBHPJV-GHMZBOCLSA-N
XLogP1.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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 (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The IUPAC name of (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine (CID 58381295) is (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine.
What is the SMILES notation for (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The canonical SMILES for (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine is CC1(N[C@@H]2CCOC[C@H]2N)CCCCC1.
What is the InChIKey of (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
The InChIKey is UGIKJLOXFBHPJV-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O/c1-12(6-3-2-4-7-12)14-11-5-8-15-9-10(11)13/h10-11,14H,2-9,13H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine?
(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine is sourced from PubChem (CID 58381295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).