N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine

C14H25FN2 — CID 143566790

IUPACN-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
SMILESC=C/C=C\C(C)=C(/C)N(CCC)CCN(C)F
InChIInChI=1S/C14H25FN2/c1-6-8-9-13(3)14(4)17(10-7-2)12-11-16(5)15/h6,8-9H,1,7,10-12H2,2-5H3/b9-8-,14-13+
InChIKeyQIBRYOPTZYVEMI-NRSBDZSJSA-N
MW240.37 g/mol
LogP3.55
Rot. Bonds8

About N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine

N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine (PubChem CID 143566790) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
PubChem CID143566790
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC NameN-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine
SMILESC=C/C=C\C(C)=C(/C)N(CCC)CCN(C)F
InChIInChI=1S/C14H25FN2/c1-6-8-9-13(3)14(4)17(10-7-2)12-11-16(5)15/h6,8-9H,1,7,10-12H2,2-5H3/b9-8-,14-13+
InChIKeyQIBRYOPTZYVEMI-NRSBDZSJSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-fluoroethyl)-2-N-hexa-3,5-dien-3-yl-6-N,6-N,3-trimethylhepta-1,3,5-triene-2,6-diamine
CID 123501893
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-[(2E,4E,6E)-3-fluoro-5-methylocta-2,4,6-trien-4-yl]-4-methylpiperazine
CID 142350904
ethane;N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589100
N,N,N'-trimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 144589101
Bis(diethylamino)fulvene
CID 129655938
N-(2-fluoroethyl)-N,4-dimethylcyclohepta-1,3,5-trien-1-amine
CID 142308849
N'-ethyl-N'-fluoro-N-[(2E,4Z,6Z)-3-methylocta-2,4,6-trien-2-yl]ethane-1,2-diamine
CID 143566944
N-ethyl-N'-[(2E,4Z)-hepta-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 88944990
N,N,N'-trimethyl-N'-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]ethane-1,2-diamine
CID 89324984
N-methyl-6-methylidene-1-[(2E)-penta-2,4-dien-2-yl]-N-propyl-2,3-dihydropyridin-5-amine
CID 117796417
N-methyl-6-methylidene-1-penta-2,4-dien-2-yl-N-propyl-2,3-dihydropyridin-5-amine
CID 123145781

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine?
The IUPAC name of N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine (CID 143566790) is N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine?
The canonical SMILES for N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine is C=C/C=C\C(C)=C(/C)N(CCC)CCN(C)F.
What is the InChIKey of N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine?
The InChIKey is QIBRYOPTZYVEMI-NRSBDZSJSA-N. The full InChI is InChI=1S/C14H25FN2/c1-6-8-9-13(3)14(4)17(10-7-2)12-11-16(5)15/h6,8-9H,1,7,10-12H2,2-5H3/b9-8-,14-13+.
What are the key properties of N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine?
N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine has a molecular weight of 240.37 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methyl-N'-[(2E,4Z)-3-methylhepta-2,4,6-trien-2-yl]-N'-propylethane-1,2-diamine is sourced from PubChem (CID 143566790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).