(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine

C10H16FN — CID 169238287

IUPAC(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)N(F)CCC
InChIInChI=1S/C10H16FN/c1-4-7-8-10(6-3)12(11)9-5-2/h4,6-8H,3,5,9H2,1-2H3/b7-4-,10-8+
InChIKeyAUKVBFPMYTYLOF-WIXOJMCHSA-N
MW169.24 g/mol
LogP3.23
Rot. Bonds5

About (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine

(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine (PubChem CID 169238287) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine
PubChem CID169238287
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine
SMILESC=C/C(=C\C=C/C)N(F)CCC
InChIInChI=1S/C10H16FN/c1-4-7-8-10(6-3)12(11)9-5-2/h4,6-8H,3,5,9H2,1-2H3/b7-4-,10-8+
InChIKeyAUKVBFPMYTYLOF-WIXOJMCHSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
(3E,5Z)-N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]octa-1,3,5,7-tetraen-4-amine
CID 130197563
(2E,4E)-4-fluoro-N,N-dipropylhexa-2,4-dien-3-amine
CID 174195010
N,N-diethylcyclooctatetraenamine
CID 134994848
(3E,5Z)-N-buta-1,3-dien-2-yl-N-fluorohepta-1,3,5-trien-4-amine
CID 144179208
(3E,5Z)-N-fluoro-N-methylhepta-1,3,5-trien-4-amine
CID 145363046
fluoro-methyl-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-2-enylazanium
CID 145677902
(3E,5E)-6-fluoro-N,N-dipropylhepta-1,3,5-trien-4-amine
CID 155749589
(2E)-4-fluoro-N-prop-1-en-2-yl-N-prop-2-enylpenta-2,4-dien-2-amine
CID 168958577
N,N-diethylpenta-1,3-dien-3-amine
CID 6713340
(3E)-N,N-diethylpenta-1,3-dien-3-amine
CID 22149544
1-butyl-6-methyl-2H-pyridine
CID 54545862

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine (CID 169238287) is (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine is C=C/C(=C\C=C/C)N(F)CCC.
What is the InChIKey of (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine?
The InChIKey is AUKVBFPMYTYLOF-WIXOJMCHSA-N. The full InChI is InChI=1S/C10H16FN/c1-4-7-8-10(6-3)12(11)9-5-2/h4,6-8H,3,5,9H2,1-2H3/b7-4-,10-8+.
What are the key properties of (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine?
(3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine has a molecular weight of 169.24 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-N-fluoro-N-propylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 169238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).