(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine

C10H19NO — CID 143794731

IUPAC(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
SMILESC/C=C\[C@H]1OC[C@@H](C)C(N)[C@H]1C
InChIInChI=1S/C10H19NO/c1-4-5-9-8(3)10(11)7(2)6-12-9/h4-5,7-10H,6,11H2,1-3H3/b5-4-/t7-,8+,9-,10?/m1/s1
InChIKeyYITVMJDQZXAHFP-XZPJVSBHSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds1

About (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine

(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine (PubChem CID 143794731) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine.

Molecular Properties

Compound Name(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
PubChem CID143794731
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine
SMILESC/C=C\[C@H]1OC[C@@H](C)C(N)[C@H]1C
InChIInChI=1S/C10H19NO/c1-4-5-9-8(3)10(11)7(2)6-12-9/h4-5,7-10H,6,11H2,1-3H3/b5-4-/t7-,8+,9-,10?/m1/s1
InChIKeyYITVMJDQZXAHFP-XZPJVSBHSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
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

(1R,4R,5R,8R,9S)-6,8,9-trimethyl-4-[(E)-prop-1-enyl]-3-oxabicyclo[3.3.1]non-6-ene
CID 50936569
ethane;4-ethenyl-5-[(Z)-prop-1-enyl]-1,3-dioxolane
CID 143261797
(2S,3R,4S,5S)-4-methoxy-5-methyl-2-undec-1-enyloxan-3-amine
CID 67674235
(4R,5S)-2-phenyl-4-[(E)-prop-1-enyl]-1,3-dioxan-5-amine
CID 167196970
(2R,3S,4R)-3-methyl-2-[(E)-prop-1-enyl]-3,4-dihydro-2H-pyran-4-ol
CID 131241498
(2S,3S)-2,3-dimethyloxetane
CID 76764483
(2R,3S,5S)-2-alumanyl-4-fluoro-5-methyloxan-3-amine
CID 163524804
(2S,3S,4R,5S)-2,3,4,5-tetramethyloxane
CID 25166630
2,3,4,5-tetramethyloxane
CID 18714557
(3R,4S)-2,3,4,5-tetramethyloxane
CID 126680874
(3S,3aR,6R,6aS)-3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59997534
3,6-dimethyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 22082039

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine?
The IUPAC name of (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine (CID 143794731) is (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine.
What is the SMILES notation for (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine?
The canonical SMILES for (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine is C/C=C\[C@H]1OC[C@@H](C)C(N)[C@H]1C.
What is the InChIKey of (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine?
The InChIKey is YITVMJDQZXAHFP-XZPJVSBHSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-9-8(3)10(11)7(2)6-12-9/h4-5,7-10H,6,11H2,1-3H3/b5-4-/t7-,8+,9-,10?/m1/s1.
What are the key properties of (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine?
(2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]oxan-4-amine is sourced from PubChem (CID 143794731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).