(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol

C8H17NO — CID 163900525

IUPAC(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol
SMILESCN[C@H](C)/C(C)=C/C(C)O
InChIInChI=1S/C8H17NO/c1-6(5-7(2)10)8(3)9-4/h5,7-10H,1-4H3/b6-5+/t7?,8-/m1/s1
InChIKeyQJLKPGDXWPTHKM-KGODPFOBSA-N
MW143.23 g/mol
LogP0.92
Rot. Bonds3

About (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol

(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol (PubChem CID 163900525) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol.

Molecular Properties

Compound Name(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol
PubChem CID163900525
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol
SMILESCN[C@H](C)/C(C)=C/C(C)O
InChIInChI=1S/C8H17NO/c1-6(5-7(2)10)8(3)9-4/h5,7-10H,1-4H3/b6-5+/t7?,8-/m1/s1
InChIKeyQJLKPGDXWPTHKM-KGODPFOBSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E,5R)-4-methyl-5-(methylamino)hex-3-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

(E,2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 10997149
(2R)-1-(propan-2-ylamino)pent-3-en-2-ol
CID 54097564
2-Methyl-6-(methylamino)hept-2-en-1-ol
CID 54551357
(+/-)-5-Methyl-1-methylamino-hex-4-en-3-ol
CID 55288000
1-(Propan-2-ylamino)pent-3-en-2-ol
CID 85360974
(5Z)-5-methyl-7-(methylamino)nona-5,8-dien-4-ol
CID 89038763
(Z,2E)-2-ethylidene-5-(methylamino)hex-3-en-1-ol
CID 89427234
(E)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90284730
(Z)-2-methyl-6-(methylamino)hept-2-en-1-ol
CID 90285030
(Z)-4-(2,6-dimethyl-1,2-dihydropyridin-4-yl)-3-methylbut-3-en-2-ol
CID 118396522
5-(Methylamino)hex-3-en-2-ol
CID 123264713
4-Methyl-2-(methylamino)hex-4-en-3-ol
CID 123366894

Frequently Asked Questions

What is the IUPAC name of (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol?
The IUPAC name of (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol (CID 163900525) is (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol.
What is the SMILES notation for (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol?
The canonical SMILES for (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol is CN[C@H](C)/C(C)=C/C(C)O.
What is the InChIKey of (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol?
The InChIKey is QJLKPGDXWPTHKM-KGODPFOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-6(5-7(2)10)8(3)9-4/h5,7-10H,1-4H3/b6-5+/t7?,8-/m1/s1.
What are the key properties of (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol?
(E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol has a molecular weight of 143.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-4-methyl-5-(methylamino)hex-3-en-2-ol is sourced from PubChem (CID 163900525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).