(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol

C12H23NO — CID 15657128

IUPAC(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CN(C)C)/C(C)=C/C
InChIInChI=1S/C12H23NO/c1-7-10(3)12(14,9-13(5)6)11(4)8-2/h7-8,14H,9H2,1-6H3/b10-7+,11-8+
InChIKeyBKZMWPLPFAYICO-AMMQDNIMSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds4

About (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol

(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 15657128) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID15657128
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CN(C)C)/C(C)=C/C
InChIInChI=1S/C12H23NO/c1-7-10(3)12(14,9-13(5)6)11(4)8-2/h7-8,14H,9H2,1-6H3/b10-7+,11-8+
InChIKeyBKZMWPLPFAYICO-AMMQDNIMSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 15657128) is (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol is C/C=C(\C)C(O)(CN(C)C)/C(C)=C/C.
What is the InChIKey of (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is BKZMWPLPFAYICO-AMMQDNIMSA-N. The full InChI is InChI=1S/C12H23NO/c1-7-10(3)12(14,9-13(5)6)11(4)8-2/h7-8,14H,9H2,1-6H3/b10-7+,11-8+.
What are the key properties of (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol?
(2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-[(dimethylamino)methyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 15657128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).