(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol

C10H19NO — CID 10241221

IUPAC(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CN1
InChIInChI=1S/C10H19NO/c1-8(2)5-4-6-10(3,12)9-7-11-9/h5,9,11-12H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyJEFBUTBHRUQBCK-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol

(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol (PubChem CID 10241221) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol
PubChem CID10241221
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CN1
InChIInChI=1S/C10H19NO/c1-8(2)5-4-6-10(3,12)9-7-11-9/h5,9,11-12H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyJEFBUTBHRUQBCK-ZJUUUORDSA-N
XLogP1.46
TPSA42.17 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 73083020
[(2R,3S)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
CID 10585974
[(2R,3S)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 11745048
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 15486824
[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 23243115
[(2S,3R)-3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
CID 23243116
[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methanol
CID 100977971
[3-[(3E)-4,8-dimethylnona-3,7-dienyl]-3-methylaziridin-2-yl]methanol
CID 100977972
3-[(6-Methylhept-5-en-2-ylamino)methyl]pentan-3-ol
CID 115714732
2-Methyl-1-(6-methylhept-5-en-2-ylamino)pentan-2-ol
CID 115719450
1-[(6-Methylhept-5-en-2-ylamino)methyl]cyclopentan-1-ol
CID 115719651
2-Methyl-3-(4-methylpent-3-en-1-yl)piperidin-3-ol
CID 164654060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol?
The IUPAC name of (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol (CID 10241221) is (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol?
The canonical SMILES for (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol is CC(C)=CCC[C@](C)(O)[C@H]1CN1.
What is the InChIKey of (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol?
The InChIKey is JEFBUTBHRUQBCK-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-4-6-10(3,12)9-7-11-9/h5,9,11-12H,4,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol?
(2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-aziridin-2-yl]-6-methylhept-5-en-2-ol is sourced from PubChem (CID 10241221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).