(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine

C10H16FN — CID 139543830

IUPAC(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C(/C=C\N)C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-8H,12H2,1-3H3/b5-4-,7-6-,10-9-
InChIKeyWPIPOBBUXKAKJX-FJWOGVSGSA-N
MW169.24 g/mol
LogP2.91
Rot. Bonds3

About (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine

(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 139543830) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
PubChem CID139543830
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C\C(F)=C(/C=C\N)C(C)C
InChIInChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-8H,12H2,1-3H3/b5-4-,7-6-,10-9-
InChIKeyWPIPOBBUXKAKJX-FJWOGVSGSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3Z,6E)-1,6-difluoro-4-methylhepta-1,3,6-triene-1,7-diamine
CID 87422780
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311
(1Z,3E)-6-methyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-dien-1-amine
CID 89033831
(1E,3Z)-2-fluoro-5-methylidenehepta-1,3-dien-1-amine
CID 90048199
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548
(1Z,3E)-2-ethyl-4-fluorohexa-1,3,5-trien-1-amine
CID 118569124
2-Ethenyl-4-(2-fluoroethyl)-5-methylhexa-2,5-dien-1-amine
CID 123558340
(1Z,3E)-4-fluoro-2,5-dimethylhexa-1,3,5-trien-1-amine
CID 124173670
(2Z,4E)-4-fluoro-6-methyl-N-(3-methylpent-1-enyl)octa-2,4-dien-1-amine
CID 126583190
(1Z,3E,5E)-3-tert-butyl-5-fluorohepta-1,3,5-trien-1-amine
CID 126669258
(1Z,3E,5E)-5-chloro-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 129094251

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine (CID 139543830) is (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine is C/C=C\C(F)=C(/C=C\N)C(C)C.
What is the InChIKey of (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is WPIPOBBUXKAKJX-FJWOGVSGSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-5-10(11)9(6-7-12)8(2)3/h4-8H,12H2,1-3H3/b5-4-,7-6-,10-9-.
What are the key properties of (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine?
(1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-4-fluoro-3-propan-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 139543830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).