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

C11H22N2O — CID 71741914

IUPAC4-N-(1-methylcyclopentyl)oxane-3,4-diamine
SMILESCC1(NC2CCOCC2N)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
InChIKeyLNMAINKFAPXYIH-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds2

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

4-N-(1-methylcyclopentyl)oxane-3,4-diamine (PubChem CID 71741914) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-N-(1-methylcyclopentyl)oxane-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-methylcyclopentyl)oxane-3,4-diamine
PubChem CID71741914
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-N-(1-methylcyclopentyl)oxane-3,4-diamine
SMILESCC1(NC2CCOCC2N)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
InChIKeyLNMAINKFAPXYIH-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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Related Compounds

1-[1-(Morpholin-4-yl)cyclopentyl]ethan-1-amine
CID 54595572
N-[(3-amino-1-fluorocyclopentyl)methyl]oxan-3-amine
CID 105470261
(3S,4R)-4-N-(1-methylcyclopentyl)oxane-3,4-diamine
CID 58381294
(3S,4R)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 58381295
N-(1-methylcyclopentyl)oxan-4-amine
CID 61365399
4-(aminomethyl)-N-propan-2-yloxan-4-amine
CID 62070142
3-(aminomethyl)-N-ethyloxan-3-amine
CID 64173443
3-N-cyclopentyloxane-3,4-diamine
CID 67358051
4-cyclopropyl-3-N-methyloxane-3,4-diamine
CID 67359423
(3S)-4-N-(1-methylcyclohexyl)oxane-3,4-diamine
CID 68264614
(3R,4S)-4-N-cyclopentyloxane-3,4-diamine
CID 69929001
4-N-cyclopentyloxane-3,4-diamine
CID 71741898

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The IUPAC name of 4-N-(1-methylcyclopentyl)oxane-3,4-diamine (CID 71741914) is 4-N-(1-methylcyclopentyl)oxane-3,4-diamine.
What is the SMILES notation for 4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The canonical SMILES for 4-N-(1-methylcyclopentyl)oxane-3,4-diamine is CC1(NC2CCOCC2N)CCCC1.
What is the InChIKey of 4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
The InChIKey is LNMAINKFAPXYIH-UHFFFAOYSA-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.
What are the key properties of 4-N-(1-methylcyclopentyl)oxane-3,4-diamine?
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 4-N-(1-methylcyclopentyl)oxane-3,4-diamine is sourced from PubChem (CID 71741914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).