(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine

C12H25FN2 — CID 143779678

IUPAC(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine
SMILESCCCNCC/C(F)=C(\CCC)N(C)C
InChIInChI=1S/C12H25FN2/c1-5-7-12(15(3)4)11(13)8-10-14-9-6-2/h14H,5-10H2,1-4H3/b12-11-
InChIKeyWEQDDTYIGMTTRZ-QXMHVHEDSA-N
MW216.34 g/mol
LogP2.92
Rot. Bonds8

About (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine

(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine (PubChem CID 143779678) has the molecular formula C12H25FN2 and a molecular weight of 216.34 g/mol. Its IUPAC name is (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine
PubChem CID143779678
Molecular FormulaC12H25FN2
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Name(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine
SMILESCCCNCC/C(F)=C(\CCC)N(C)C
InChIInChI=1S/C12H25FN2/c1-5-7-12(15(3)4)11(13)8-10-14-9-6-2/h14H,5-10H2,1-4H3/b12-11-
InChIKeyWEQDDTYIGMTTRZ-QXMHVHEDSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine with MolForge

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Related Compounds

N-(3-aminopropyl)-N'-[(E)-1-fluorohex-2-en-3-yl]butane-1,4-diamine
CID 155072623
1-(2-fluoroethyl)-4-N-methyl-2,3,6,7-tetrahydroazepine-4,5-diamine
CID 156370859
(Z)-N-ethyl-2-fluoropent-2-en-3-amine
CID 142967863
(Z)-4-N-ethyl-1-N,4-N-dimethylhex-4-ene-1,4,5-triamine
CID 89122186
ethane;(1Z)-1-pyrrolidin-2-ylidenepropan-1-amine
CID 142619224
(Z)-3-N-ethylhex-2-ene-2,3-diamine
CID 163722683
2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine
CID 166140812
3-Fluoro-6-methyl-1,2,3,4-tetrahydropyridine;6-methyl-1,2,3,4-tetrahydropyridine
CID 166140821
6-Propan-2-yl-1,2,3,4-tetrahydropyridin-5-amine
CID 167037379
(Z)-2-methyl-4-N-propan-2-ylhept-3-ene-3,4-diamine
CID 169688601
(Z)-3-N-propan-2-ylpent-2-ene-2,3-diamine
CID 169688703
(Z)-3-N,3-N-dimethyl-2-N-propan-2-ylpent-2-ene-2,3-diamine
CID 169941407

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine?
The IUPAC name of (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine (CID 143779678) is (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine.
What is the SMILES notation for (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine?
The canonical SMILES for (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine is CCCNCC/C(F)=C(\CCC)N(C)C.
What is the InChIKey of (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine?
The InChIKey is WEQDDTYIGMTTRZ-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H25FN2/c1-5-7-12(15(3)4)11(13)8-10-14-9-6-2/h14H,5-10H2,1-4H3/b12-11-.
What are the key properties of (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine?
(Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine has a molecular weight of 216.34 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-N,4-N-dimethyl-1-N-propylhept-3-ene-1,4-diamine is sourced from PubChem (CID 143779678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).