(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine

C14H24FN — CID 168926080

IUPAC(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C(C)CC)C(C)(C)F)NC
InChIInChI=1S/C14H24FN/c1-7-9-12(16-6)10-13(11(3)8-2)14(4,5)15/h7,9-11,16H,1,8H2,2-6H3/b12-9+,13-10+
InChIKeyXTJUGRFXSKTBMS-JOWSBRCASA-N
MW225.35 g/mol
LogP4.00
Rot. Bonds6

About (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine

(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine (PubChem CID 168926080) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine
PubChem CID168926080
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine
SMILESC=C/C=C(\C=C(/C(C)CC)C(C)(C)F)NC
InChIInChI=1S/C14H24FN/c1-7-9-12(16-6)10-13(11(3)8-2)14(4,5)15/h7,9-11,16H,1,8H2,2-6H3/b12-9+,13-10+
InChIKeyXTJUGRFXSKTBMS-JOWSBRCASA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
3-Fluoro-2-methyl-5-pentan-2-yl-1,2-dihydropyridine
CID 129194102
5-(difluoromethyl)-N-ethenyl-4-ethylcyclohexa-1,5-dien-1-amine
CID 130321083
(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
(2Z,4E)-N-ethenyl-5-fluoro-3-propan-2-ylhexa-2,4-dien-2-amine
CID 134533169
2-fluoro-4-(2-methylbutyl)-2,7-dihydro-1H-azepine
CID 137387877
(3E,5Z,9Z,11Z)-3-fluoro-7,10-dimethyl-2,8,13-trimethylidene-9-[(Z)-prop-1-enyl]-1-azacyclotrideca-3,5,9,11-tetraene
CID 139335626
4-(3-fluoro-3-methylbutan-2-yl)-N-methylcyclohexa-1,5-dien-1-amine
CID 143631187
(6Z)-5-fluoro-N,5-dimethyl-4-propylocta-1,6-dien-2-amine
CID 145350547
(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine
CID 146537629
(2E,5Z,7E)-8-fluoro-N,5,7-trimethyldeca-2,5,7,9-tetraen-2-amine
CID 146577737
(3Z,4Z)-9-fluoro-N,9-dimethyl-3-(1-phosphanylethylidene)deca-1,4-dien-2-amine
CID 156480964

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine?
The IUPAC name of (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine (CID 168926080) is (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine is C=C/C=C(\C=C(/C(C)CC)C(C)(C)F)NC.
What is the InChIKey of (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine?
The InChIKey is XTJUGRFXSKTBMS-JOWSBRCASA-N. The full InChI is InChI=1S/C14H24FN/c1-7-9-12(16-6)10-13(11(3)8-2)14(4,5)15/h7,9-11,16H,1,8H2,2-6H3/b12-9+,13-10+.
What are the key properties of (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine?
(3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine has a molecular weight of 225.35 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-(2-fluoropropan-2-yl)-N,7-dimethylnona-1,3,5-trien-4-amine is sourced from PubChem (CID 168926080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).