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

C11H22N2O — CID 58381294

IUPAC(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
SMILESCC1(N[C@@H]2CCOC[C@H]2N)CCCC1
InChIInChI=1S/C11H22N2O/c1-11(5-2-3-6-11)13-10-4-7-14-8-9(10)12/h9-10,13H,2-8,12H2,1H3/t9-,10-/m1/s1
InChIKeyLNMAINKFAPXYIH-NXEZZACHSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds2

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

(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine (PubChem CID 58381294) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine.

Molecular Properties

Compound Name(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
PubChem CID58381294
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
SMILESCC1(N[C@@H]2CCOC[C@H]2N)CCCC1
InChIInChI=1S/C11H22N2O/c1-11(5-2-3-6-11)13-10-4-7-14-8-9(10)12/h9-10,13H,2-8,12H2,1H3/t9-,10-/m1/s1
InChIKeyLNMAINKFAPXYIH-NXEZZACHSA-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 (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The IUPAC name of (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine (CID 58381294) is (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine.
What is the SMILES notation for (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The canonical SMILES for (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine is CC1(N[C@@H]2CCOC[C@H]2N)CCCC1.
What is the InChIKey of (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The InChIKey is LNMAINKFAPXYIH-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-11(5-2-3-6-11)13-10-4-7-14-8-9(10)12/h9-10,13H,2-8,12H2,1H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-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 (3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine is sourced from PubChem (CID 58381294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).