azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine

C9H20N2O — CID 67095695

IUPACazane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@H]1CC[C@@H](N)[C@@H](C)O1.N
InChIInChI=1S/C9H17NO.H3N/c1-3-4-8-5-6-9(10)7(2)11-8;/h3,7-9H,1,4-6,10H2,2H3;1H3/t7-,8+,9-;/m1./s1
InChIKeyQOPRJUNOQSIJSK-RVKMJUHISA-N
MW172.27 g/mol
LogP1.62
Rot. Bonds2

About azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine

azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine (PubChem CID 67095695) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine.

Molecular Properties

Compound Nameazane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
PubChem CID67095695
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameazane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@H]1CC[C@@H](N)[C@@H](C)O1.N
InChIInChI=1S/C9H17NO.H3N/c1-3-4-8-5-6-9(10)7(2)11-8;/h3,7-9H,1,4-6,10H2,2H3;1H3/t7-,8+,9-;/m1./s1
InChIKeyQOPRJUNOQSIJSK-RVKMJUHISA-N
XLogP1.62
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,5S,6S)-6-allyl-2,5-dimethyltetrahydro-2H-pyran-3-amine
CID 11521154
(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 59552180
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
CID 130848345
(3R,6R)-6-[(2E)-penta-2,4-dienyl]oxan-3-amine
CID 135127542
6-[(2E)-penta-2,4-dienyl]oxan-3-amine
CID 135127543
(3S,5R)-6-ethyl-2-prop-2-enyl-5-propyloxan-3-amine
CID 170204912
2-Methyl-6-prop-2-enyloxan-4-amine
CID 178808343
2-Ethoxyoct-7-en-3-amine
CID 64542187
1-(1,4-Dioxan-2-yl)hex-5-en-1-amine
CID 65352464
2-Methoxyoct-7-en-3-amine
CID 79617515
1-(Oxan-2-yl)hex-5-en-2-amine
CID 104251504

Frequently Asked Questions

What is the IUPAC name of azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The IUPAC name of azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine (CID 67095695) is azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine.
What is the SMILES notation for azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The canonical SMILES for azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine is C=CC[C@H]1CC[C@@H](N)[C@@H](C)O1.N.
What is the InChIKey of azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The InChIKey is QOPRJUNOQSIJSK-RVKMJUHISA-N. The full InChI is InChI=1S/C9H17NO.H3N/c1-3-4-8-5-6-9(10)7(2)11-8;/h3,7-9H,1,4-6,10H2,2H3;1H3/t7-,8+,9-;/m1./s1.
What are the key properties of azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine has a molecular weight of 172.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine is sourced from PubChem (CID 67095695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).