(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol

C11H24N2O — CID 59728819

IUPAC(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol
SMILESC/C=C/C(C(O)C(CC)NC)N(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-10(13(4)5)11(14)9(7-2)12-3/h6,8-12,14H,7H2,1-5H3/b8-6+
InChIKeyYRMUAJBQIWWSCT-SOFGYWHQSA-N
MW200.33 g/mol
LogP0.85
Rot. Bonds6

About (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol

(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol (PubChem CID 59728819) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol
PubChem CID59728819
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol
SMILESC/C=C/C(C(O)C(CC)NC)N(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-10(13(4)5)11(14)9(7-2)12-3/h6,8-12,14H,7H2,1-5H3/b8-6+
InChIKeyYRMUAJBQIWWSCT-SOFGYWHQSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(4z)-8-(Methylamino)cyclooct-4-en-1-ol
CID 12379044
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
1-(1,2-Dihydropyridin-2-yl)-2-(dimethylamino)ethanol
CID 19041110
4-Amino-1,2,3,4,5,8-hexahydroazocin-3-ol
CID 57054049
(E)-4-(dimethylamino)-1-methoxy-2-(methylamino)hept-5-en-3-ol
CID 59728817
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
(2R,3S,5Z,6Z)-3-amino-5-ethylidene-1-[methyl(prop-2-enyl)amino]nona-6,8-dien-2-ol
CID 88272057
1-(1,2,3,6-Tetrahydropyridin-6-yl)butane-1,2-diol
CID 123327446
(E,2R)-7-amino-3-(methylamino)hept-5-en-2-ol
CID 130374523
5-(Methylamino)cyclohex-3-en-1-ol
CID 141771080

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol?
The IUPAC name of (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol (CID 59728819) is (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol?
The canonical SMILES for (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol is C/C=C/C(C(O)C(CC)NC)N(C)C.
What is the InChIKey of (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol?
The InChIKey is YRMUAJBQIWWSCT-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-8-10(13(4)5)11(14)9(7-2)12-3/h6,8-12,14H,7H2,1-5H3/b8-6+.
What are the key properties of (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol?
(E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol has a molecular weight of 200.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-3-(methylamino)oct-6-en-4-ol is sourced from PubChem (CID 59728819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).