(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol

C14H30N2O3 — CID 163470269

IUPAC(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol
SMILESCNCC(O)CC(C)/C=C\CC(CO)(OC)N(C)C
InChIInChI=1S/C14H30N2O3/c1-12(9-13(18)10-15-2)7-6-8-14(11-17,19-5)16(3)4/h6-7,12-13,15,17-18H,8-11H2,1-5H3/b7-6-
InChIKeyBVZCOKHIGMXJAQ-SREVYHEPSA-N
MW274.41 g/mol
LogP0.44
Rot. Bonds10

About (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol

(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol (PubChem CID 163470269) has the molecular formula C14H30N2O3 and a molecular weight of 274.41 g/mol. Its IUPAC name is (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol.

Molecular Properties

Compound Name(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol
PubChem CID163470269
Molecular FormulaC14H30N2O3
Molecular Weight274.41 g/mol
Exact Mass274.23
IUPAC Name(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol
SMILESCNCC(O)CC(C)/C=C\CC(CO)(OC)N(C)C
InChIInChI=1S/C14H30N2O3/c1-12(9-13(18)10-15-2)7-6-8-14(11-17,19-5)16(3)4/h6-7,12-13,15,17-18H,8-11H2,1-5H3/b7-6-
InChIKeyBVZCOKHIGMXJAQ-SREVYHEPSA-N
XLogP0.44
TPSA64.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-methoxy-4-methyl-2-(methylamino)hept-5-en-3-ol
CID 59728820
(E)-5-methyl-3-(methylamino)oct-6-en-4-ol
CID 59728821
1-[(1-Hydroxy-3-methylbutan-2-yl)amino]-2-methylhept-5-en-3-ol
CID 91382475
1-Methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol
CID 123315645
2-[2-(Ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol
CID 163973585
1-(2,5-dihydro-1H-pyrrol-2-yl)-2-methoxy-2-methylpropan-1-ol
CID 130646446

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol?
The IUPAC name of (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol (CID 163470269) is (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol.
What is the SMILES notation for (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol?
The canonical SMILES for (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol is CNCC(O)CC(C)/C=C\CC(CO)(OC)N(C)C.
What is the InChIKey of (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol?
The InChIKey is BVZCOKHIGMXJAQ-SREVYHEPSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-12(9-13(18)10-15-2)7-6-8-14(11-17,19-5)16(3)4/h6-7,12-13,15,17-18H,8-11H2,1-5H3/b7-6-.
What are the key properties of (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol?
(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol has a molecular weight of 274.41 g/mol, XLogP of 0.44, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol is sourced from PubChem (CID 163470269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).