butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene

C16H32FNO — CID 153364880

IUPACbutan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C/CC)CF.CC.CCCCN
InChIInChI=1S/C10H15FO.C4H11N.C2H6/c1-4-6-7-9(8-11)10(5-2)12-3;1-2-3-4-5;1-2/h5-7H,2,4,8H2,1,3H3;2-5H2,1H3;1-2H3/b7-6-,10-9-;;
InChIKeyODNUZICDDXZRCC-JFHYDWJLSA-N
MW273.44 g/mol
LogP4.78
Rot. Bonds7

About butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene

butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene (PubChem CID 153364880) has the molecular formula C16H32FNO and a molecular weight of 273.44 g/mol. Its IUPAC name is butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene.

Molecular Properties

Compound Namebutan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene
PubChem CID153364880
Molecular FormulaC16H32FNO
Molecular Weight273.44 g/mol
Exact Mass273.25
IUPAC Namebutan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene
SMILESC=C/C(OC)=C(\C=C/CC)CF.CC.CCCCN
InChIInChI=1S/C10H15FO.C4H11N.C2H6/c1-4-6-7-9(8-11)10(5-2)12-3;1-2-3-4-5;1-2/h5-7H,2,4,8H2,1,3H3;2-5H2,1H3;1-2H3/b7-6-,10-9-;;
InChIKeyODNUZICDDXZRCC-JFHYDWJLSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene with MolForge

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Launch Full Analysis

Related Compounds

(3E)-5-fluoro-4-methoxy-2-methylidenehexa-3,5-dien-1-amine
CID 144488234
(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904399
(2E,4E)-2-ethyl-5-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienoxy]hexa-2,4-dien-1-amine
CID 144161735
5-Methoxy-3,8-dimethylnona-3,5,7-trien-1-amine
CID 90796927
2-(3-Methoxycyclohepta-1,3,6-trien-1-yl)ethanamine
CID 90818419
(3Z,5Z)-4-methoxy-3-methylocta-3,5,7-trien-1-amine
CID 141975532
ethane;(2Z)-2-ethenyl-3-methoxy-4-methylpenta-2,4-dien-1-amine
CID 142547594
(3E)-3-ethenyl-4-methoxyhexa-3,5-dien-1-amine
CID 143031161
ethane;(4E,6E)-N-fluoro-7-methoxy-6-(2-methylprop-1-enyl)nona-4,6-dien-1-amine
CID 143806676
ethane;(2E,3E)-2-ethylidene-4-(2-fluoroethoxy)hexa-3,5-dien-1-amine
CID 143904398
ethane;(2E,4E)-2-ethyl-5-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienoxy]hexa-2,4-dien-1-amine
CID 144161734
ethanamine;ethane;(3Z)-5-methoxy-2,6-dimethylhepta-1,3,5-triene;molecular hydrogen
CID 144201243

Frequently Asked Questions

What is the IUPAC name of butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene?
The IUPAC name of butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene (CID 153364880) is butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene.
What is the SMILES notation for butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene?
The canonical SMILES for butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene is C=C/C(OC)=C(\C=C/CC)CF.CC.CCCCN.
What is the InChIKey of butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene?
The InChIKey is ODNUZICDDXZRCC-JFHYDWJLSA-N. The full InChI is InChI=1S/C10H15FO.C4H11N.C2H6/c1-4-6-7-9(8-11)10(5-2)12-3;1-2-3-4-5;1-2/h5-7H,2,4,8H2,1,3H3;2-5H2,1H3;1-2H3/b7-6-,10-9-;;.
What are the key properties of butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene?
butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene has a molecular weight of 273.44 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;ethane;(3Z,5Z)-4-(fluoromethyl)-3-methoxyocta-1,3,5-triene is sourced from PubChem (CID 153364880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).