(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol

C15H27NO — CID 143707490

IUPAC(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol
SMILESC=C/C(CCC(O)NCCCC)=C(C)\C=C/C
InChIInChI=1S/C15H27NO/c1-5-8-12-16-15(17)11-10-14(7-3)13(4)9-6-2/h6-7,9,15-17H,3,5,8,10-12H2,1-2,4H3/b9-6-,14-13+
InChIKeyNFEBGJUNNZYHKQ-VFMLYFKRSA-N
MW237.39 g/mol
LogP3.55
Rot. Bonds9

About (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol

(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol (PubChem CID 143707490) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol
PubChem CID143707490
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol
SMILESC=C/C(CCC(O)NCCCC)=C(C)\C=C/C
InChIInChI=1S/C15H27NO/c1-5-8-12-16-15(17)11-10-14(7-3)13(4)9-6-2/h6-7,9,15-17H,3,5,8,10-12H2,1-2,4H3/b9-6-,14-13+
InChIKeyNFEBGJUNNZYHKQ-VFMLYFKRSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol?
The IUPAC name of (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol (CID 143707490) is (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol?
The canonical SMILES for (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol is C=C/C(CCC(O)NCCCC)=C(C)\C=C/C.
What is the InChIKey of (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol?
The InChIKey is NFEBGJUNNZYHKQ-VFMLYFKRSA-N. The full InChI is InChI=1S/C15H27NO/c1-5-8-12-16-15(17)11-10-14(7-3)13(4)9-6-2/h6-7,9,15-17H,3,5,8,10-12H2,1-2,4H3/b9-6-,14-13+.
What are the key properties of (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol?
(4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol has a molecular weight of 237.39 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-1-(butylamino)-4-ethenyl-5-methylocta-4,6-dien-1-ol is sourced from PubChem (CID 143707490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).