(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol

C15H27NO — CID 170279098

IUPAC(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol
SMILESCC/C=C(\C=C/CN/C=C\C(C)(O)CC)CC
InChIInChI=1S/C15H27NO/c1-5-9-14(6-2)10-8-12-16-13-11-15(4,17)7-3/h8-11,13,16-17H,5-7,12H2,1-4H3/b10-8-,13-11-,14-9-
InChIKeyCVBOKXHPUFVEEE-JPADMCAQSA-N
MW237.39 g/mol
LogP3.55
Rot. Bonds8

About (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol

(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol (PubChem CID 170279098) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol
PubChem CID170279098
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol
SMILESCC/C=C(\C=C/CN/C=C\C(C)(O)CC)CC
InChIInChI=1S/C15H27NO/c1-5-9-14(6-2)10-8-12-16-13-11-15(4,17)7-3/h8-11,13,16-17H,5-7,12H2,1-4H3/b10-8-,13-11-,14-9-
InChIKeyCVBOKXHPUFVEEE-JPADMCAQSA-N
XLogP3.55
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 ≤ 53.55
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 (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol?
The IUPAC name of (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol (CID 170279098) is (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol?
The canonical SMILES for (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol is CC/C=C(\C=C/CN/C=C\C(C)(O)CC)CC.
What is the InChIKey of (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol?
The InChIKey is CVBOKXHPUFVEEE-JPADMCAQSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-9-14(6-2)10-8-12-16-13-11-15(4,17)7-3/h8-11,13,16-17H,5-7,12H2,1-4H3/b10-8-,13-11-,14-9-.
What are the key properties of (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol?
(Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol has a molecular weight of 237.39 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[[(2Z,4Z)-4-ethylhepta-2,4-dienyl]amino]-3-methylpent-1-en-3-ol is sourced from PubChem (CID 170279098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).