(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine

C12H20FN — CID 146595703

IUPAC(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
SMILESC=C/C=C\C(F)=C(/CC)N(C)C(C)C
InChIInChI=1S/C12H20FN/c1-6-8-9-11(13)12(7-2)14(5)10(3)4/h6,8-10H,1,7H2,2-5H3/b9-8-,12-11-
InChIKeyCRIVKVHGDRQUGC-MURFETPASA-N
MW197.30 g/mol
LogP3.66
Rot. Bonds5

About (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine

(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine (PubChem CID 146595703) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine.

Molecular Properties

Compound Name(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
PubChem CID146595703
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
SMILESC=C/C=C\C(F)=C(/CC)N(C)C(C)C
InChIInChI=1S/C12H20FN/c1-6-8-9-11(13)12(7-2)14(5)10(3)4/h6,8-10H,1,7H2,2-5H3/b9-8-,12-11-
InChIKeyCRIVKVHGDRQUGC-MURFETPASA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-fluoro-N-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 22637871
(3Z,5E,8Z)-5-fluoro-1,8-dimethyl-2-methylidene-1-azacycloundeca-3,5,8-triene
CID 89299112
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
CID 126629579
6-(1,1-difluoroethyl)-1,2-dimethyl-2H-pyridine
CID 130243331
(3E,5Z)-4-fluoro-3-(methylideneamino)-N,N-dipropylhepta-3,5-dien-1-amine
CID 139471562
N-but-1-en-2-yl-3-fluoro-6-methyl-N-propylcyclohexa-2,4-dien-1-amine
CID 142020198
(2Z,4Z)-3-fluoro-N,N,6-trimethylhepta-2,4,6-trien-2-amine
CID 142309140
4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
CID 143106653
(3E,5Z)-7-(fluoromethyl)-N,3-dimethyl-N-propylocta-3,5,7-trien-2-amine
CID 146586092
(2Z,4Z)-N-ethyl-3-fluoro-N-methylhepta-2,4,6-trien-2-amine
CID 146595709
(Z,2R)-N-(2-fluoroethyl)-N-methylhex-4-en-2-amine
CID 153329757

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine?
The IUPAC name of (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine (CID 146595703) is (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine.
What is the SMILES notation for (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine?
The canonical SMILES for (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine is C=C/C=C\C(F)=C(/CC)N(C)C(C)C.
What is the InChIKey of (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine?
The InChIKey is CRIVKVHGDRQUGC-MURFETPASA-N. The full InChI is InChI=1S/C12H20FN/c1-6-8-9-11(13)12(7-2)14(5)10(3)4/h6,8-10H,1,7H2,2-5H3/b9-8-,12-11-.
What are the key properties of (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine?
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine has a molecular weight of 197.30 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine is sourced from PubChem (CID 146595703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).