4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol

C14H27NO2 — CID 97231488

IUPAC4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
SMILESCC(C)=CCC[C@H](C)NCC1(O)CCOCC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3/t13-/m0/s1
InChIKeySEWCKRMXLCNYJV-ZDUSSCGKSA-N
MW241.37 g/mol
LogP2.25
Rot. Bonds6

About 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol

4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol (PubChem CID 97231488) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
PubChem CID97231488
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
SMILESCC(C)=CCC[C@H](C)NCC1(O)CCOCC1
InChIInChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3/t13-/m0/s1
InChIKeySEWCKRMXLCNYJV-ZDUSSCGKSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

3,7-Dimethyl-2-(propylamino)oct-6-ene-1,3-diol
CID 19928727
1-[[(5-Aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol
CID 91478814
4-[(Pent-4-enylamino)methyl]oxan-4-ol
CID 81130194
4-[(2-Methylidenebutylamino)methyl]oxan-4-ol
CID 81131211
4-[(But-3-enylamino)methyl]oxan-4-ol
CID 81131218
4-[(Cyclohex-3-en-1-ylmethylamino)methyl]oxan-4-ol
CID 81131289
4-[(6-Methylhept-5-en-2-ylamino)methyl]oxan-4-ol
CID 84588218
4-[[[(2R)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol
CID 97231489
4-[[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]methyl]oxan-4-ol
CID 103276919
4-[(Hex-5-en-2-ylamino)methyl]oxan-4-ol
CID 104582226
N-[(4-methoxyoxan-4-yl)methyl]hex-5-en-2-amine
CID 104583482
1-(Cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210

Frequently Asked Questions

What is the IUPAC name of 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol (CID 97231488) is 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol is CC(C)=CCC[C@H](C)NCC1(O)CCOCC1.
What is the InChIKey of 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol?
The InChIKey is SEWCKRMXLCNYJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)5-4-6-13(3)15-11-14(16)7-9-17-10-8-14/h5,13,15-16H,4,6-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol?
4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 241.37 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(2S)-6-methylhept-5-en-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 97231488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).