(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine

C9H14FN — CID 142975065

IUPAC(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C(F)=C(/C)CNC
InChIInChI=1S/C9H14FN/c1-4-5-6-9(10)8(2)7-11-3/h4-6,11H,1,7H2,2-3H3/b6-5-,9-8-
InChIKeyATPQDPKCOPWJAF-AFJQJTPPSA-N
MW155.22 g/mol
LogP2.19
Rot. Bonds4

About (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine

(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine (PubChem CID 142975065) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine
PubChem CID142975065
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C(F)=C(/C)CNC
InChIInChI=1S/C9H14FN/c1-4-5-6-9(10)8(2)7-11-3/h4-6,11H,1,7H2,2-3H3/b6-5-,9-8-
InChIKeyATPQDPKCOPWJAF-AFJQJTPPSA-N
XLogP2.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.19
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

1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
CID 88590092
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
CID 88935075
2-Fluoro-3-methyl-1,2-dihydropyridine
CID 89243579
(2Z)-3-fluoro-2-methyl-N-propylpenta-2,4-dien-1-amine
CID 90143658
2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 90894312
4-fluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 123939942
(2Z)-3-fluoro-N,2-dimethylpenta-2,4-dien-1-amine
CID 124188880
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(2Z,4Z)-3-fluoro-2-methylhexa-2,4-dien-1-amine
CID 139454891

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine (CID 142975065) is (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine is C=C/C=C\C(F)=C(/C)CNC.
What is the InChIKey of (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine?
The InChIKey is ATPQDPKCOPWJAF-AFJQJTPPSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-5-6-9(10)8(2)7-11-3/h4-6,11H,1,7H2,2-3H3/b6-5-,9-8-.
What are the key properties of (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine?
(2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine has a molecular weight of 155.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3-fluoro-N,2-dimethylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 142975065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).