(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol

C15H27NO — CID 145138578

IUPAC(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)CCNCC(C)(C)C
InChIInChI=1S/C15H27NO/c1-6-13(14(7-2)9-11-17)8-10-16-12-15(3,4)5/h6-7,16-17H,1-2,8-12H2,3-5H3/b14-13-
InChIKeyRBSDKISGRIMIOT-YPKPFQOOSA-N
MW237.39 g/mol
LogP3.06
Rot. Bonds8

About (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol

(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol (PubChem CID 145138578) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol
PubChem CID145138578
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol
SMILESC=C/C(CCO)=C(\C=C)CCNCC(C)(C)C
InChIInChI=1S/C15H27NO/c1-6-13(14(7-2)9-11-17)8-10-16-12-15(3,4)5/h6-7,16-17H,1-2,8-12H2,3-5H3/b14-13-
InChIKeyRBSDKISGRIMIOT-YPKPFQOOSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol?
The IUPAC name of (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol (CID 145138578) is (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol?
The canonical SMILES for (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol is C=C/C(CCO)=C(\C=C)CCNCC(C)(C)C.
What is the InChIKey of (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol?
The InChIKey is RBSDKISGRIMIOT-YPKPFQOOSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-13(14(7-2)9-11-17)8-10-16-12-15(3,4)5/h6-7,16-17H,1-2,8-12H2,3-5H3/b14-13-.
What are the key properties of (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol?
(3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[2-(2,2-dimethylpropylamino)ethyl]-3-ethenylhexa-3,5-dien-1-ol is sourced from PubChem (CID 145138578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).