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

C14H27NO — CID 19608992

IUPAC(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCCN(C)C)/C(C)=C/C
InChIInChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3/b12-7+,13-8+
InChIKeyYYHOREHTUIBPNM-INOXDZRUSA-N
MW225.38 g/mol
LogP2.99
Rot. Bonds6

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

(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (PubChem CID 19608992) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.

Molecular Properties

Compound Name(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
PubChem CID19608992
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
SMILESC/C=C(\C)C(O)(CCCN(C)C)/C(C)=C/C
InChIInChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3/b12-7+,13-8+
InChIKeyYYHOREHTUIBPNM-INOXDZRUSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.99
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-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The IUPAC name of (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol (CID 19608992) is (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol.
What is the SMILES notation for (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The canonical SMILES for (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is C/C=C(\C)C(O)(CCCN(C)C)/C(C)=C/C.
What is the InChIKey of (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
The InChIKey is YYHOREHTUIBPNM-INOXDZRUSA-N. The full InChI is InChI=1S/C14H27NO/c1-7-12(3)14(16,13(4)8-2)10-9-11-15(5)6/h7-8,16H,9-11H2,1-6H3/b12-7+,13-8+.
What are the key properties of (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol?
(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol has a molecular weight of 225.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol is sourced from PubChem (CID 19608992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).