[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol

C14H26N2O — CID 129043981

IUPAC[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol
SMILESCNC(O)[C@@]1(C)C=CCC/C=C\CN(C)CC1
InChIInChI=1S/C14H26N2O/c1-14(13(17)15-2)9-7-5-4-6-8-11-16(3)12-10-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3/b8-6-,9-7?/t13?,14-/m0/s1
InChIKeyNVLHTUHBGJAJJT-QUUIRMHCSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds2

About [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol

[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol (PubChem CID 129043981) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol.

Molecular Properties

Compound Name[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol
PubChem CID129043981
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol
SMILESCNC(O)[C@@]1(C)C=CCC/C=C\CN(C)CC1
InChIInChI=1S/C14H26N2O/c1-14(13(17)15-2)9-7-5-4-6-8-11-16(3)12-10-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3/b8-6-,9-7?/t13?,14-/m0/s1
InChIKeyNVLHTUHBGJAJJT-QUUIRMHCSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol?
The IUPAC name of [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol (CID 129043981) is [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol.
What is the SMILES notation for [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol?
The canonical SMILES for [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol is CNC(O)[C@@]1(C)C=CCC/C=C\CN(C)CC1.
What is the InChIKey of [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol?
The InChIKey is NVLHTUHBGJAJJT-QUUIRMHCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(13(17)15-2)9-7-5-4-6-8-11-16(3)12-10-14/h6-9,13,15,17H,4-5,10-12H2,1-3H3/b8-6-,9-7?/t13?,14-/m0/s1.
What are the key properties of [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol?
[(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol has a molecular weight of 238.37 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,9Z)-1,4-dimethyl-1-azacycloundeca-5,9-dien-4-yl]-(methylamino)methanol is sourced from PubChem (CID 129043981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).