(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine

C10H19NO — CID 130848345

IUPAC(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@@H]1O[C@H](C)[C@H](N)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3/t7?,8-,9-,10+/m1/s1
InChIKeyLVUKMPCLXMCFQK-BDBFLJFWSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine

(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine (PubChem CID 130848345) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine.

Molecular Properties

Compound Name(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
PubChem CID130848345
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@@H]1O[C@H](C)[C@H](N)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3/t7?,8-,9-,10+/m1/s1
InChIKeyLVUKMPCLXMCFQK-BDBFLJFWSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
(3R)-6-ethyl-2-prop-2-enyl-5-[3-(trifluoromethyl)pentan-2-yl]oxan-3-amine
CID 166655110
1-(2,5-Dimethylcyclopentyl)-1-methoxybut-3-en-2-amine
CID 57235498
azane;(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
CID 67095695
(2R,3R,5S,6S)-2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine
CID 72707830
2,5-Dimethyl-6-prop-2-enyloxan-3-amine
CID 72993388
2-Butan-2-yloxy-1-cyclohexylprop-2-en-1-amine
CID 90874517
2,5-Dimethyl-6-(3-methylpenta-2,4-dienyl)oxan-3-amine
CID 123152669
N,2,5-trimethyl-6-prop-2-enyloxan-3-amine
CID 123611757
6-(2-Aminopropoxy)-7-ethenyldodecan-6-amine
CID 138474050
2,5-dimethyl-6-[(2E)-3-methylpenta-2,4-dienyl]oxan-3-amine
CID 138495595

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The IUPAC name of (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine (CID 130848345) is (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine.
What is the SMILES notation for (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The canonical SMILES for (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine is C=CC[C@@H]1O[C@H](C)[C@H](N)CC1C.
What is the InChIKey of (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The InChIKey is LVUKMPCLXMCFQK-BDBFLJFWSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3/t7?,8-,9-,10+/m1/s1.
What are the key properties of (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine?
(2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-amine is sourced from PubChem (CID 130848345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).