(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine

C14H26FNO — CID 143543633

IUPAC(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine
SMILESC/C=C(NCC(C)OC(C)C)\C(F)=C/C(C)C
InChIInChI=1S/C14H26FNO/c1-7-14(13(15)8-10(2)3)16-9-12(6)17-11(4)5/h7-8,10-12,16H,9H2,1-6H3/b13-8+,14-7+
InChIKeyDHKJAOOTHPVIES-CCLLZULESA-N
MW243.37 g/mol
LogP3.80
Rot. Bonds7

About (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine

(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine (PubChem CID 143543633) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine
PubChem CID143543633
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine
SMILESC/C=C(NCC(C)OC(C)C)\C(F)=C/C(C)C
InChIInChI=1S/C14H26FNO/c1-7-14(13(15)8-10(2)3)16-9-12(6)17-11(4)5/h7-8,10-12,16H,9H2,1-6H3/b13-8+,14-7+
InChIKeyDHKJAOOTHPVIES-CCLLZULESA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E,6E)-1-N-(2-ethoxyethyl)-7-fluoro-5-N-methylcycloocta-1,4,6-triene-1,5-diamine
CID 142263616
(Z)-4-methyl-N-(2-propan-2-yloxyprop-2-enyl)pent-2-en-3-amine
CID 167094242
(3Z)-N-[(3S)-3-methoxybutan-2-yl]-2,2-dimethylhexa-3,5-dien-3-amine
CID 173767126
6-methyl-5-[(2Z)-3-methylhexa-2,4,5-trien-2-yl]-3,4-dihydro-2H-1,4-oxazine
CID 177363478
(3E,5Z)-4-ethyl-N-(2-methoxyethyl)-3-methylnona-3,5-dien-5-amine
CID 144368341

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine (CID 143543633) is (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine is C/C=C(NCC(C)OC(C)C)\C(F)=C/C(C)C.
What is the InChIKey of (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine?
The InChIKey is DHKJAOOTHPVIES-CCLLZULESA-N. The full InChI is InChI=1S/C14H26FNO/c1-7-14(13(15)8-10(2)3)16-9-12(6)17-11(4)5/h7-8,10-12,16H,9H2,1-6H3/b13-8+,14-7+.
What are the key properties of (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine?
(2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine has a molecular weight of 243.37 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-fluoro-6-methyl-N-(2-propan-2-yloxypropyl)hepta-2,4-dien-3-amine is sourced from PubChem (CID 143543633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).