(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine

C10H18FNO — CID 137438950

IUPAC(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
SMILESC=C/C=C(/F)CNCC(C)OCC
InChIInChI=1S/C10H18FNO/c1-4-6-10(11)8-12-7-9(3)13-5-2/h4,6,9,12H,1,5,7-8H2,2-3H3/b10-6+
InChIKeyNCVLGSZUUDKMPN-UXBLZVDNSA-N
MW187.26 g/mol
LogP2.04
Rot. Bonds7

About (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine

(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine (PubChem CID 137438950) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
PubChem CID137438950
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine
SMILESC=C/C=C(/F)CNCC(C)OCC
InChIInChI=1S/C10H18FNO/c1-4-6-10(11)8-12-7-9(3)13-5-2/h4,6,9,12H,1,5,7-8H2,2-3H3/b10-6+
InChIKeyNCVLGSZUUDKMPN-UXBLZVDNSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.04
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

N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62597992
N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]prop-2-en-1-amine
CID 66276422
N-prop-2-enyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66276840
2-(2,2-difluoroethoxy)-N-prop-2-enylpropan-1-amine
CID 82010132
N-prop-2-enyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82793237
N-prop-2-enyl-2-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82958426
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-prop-2-enylpropan-1-amine
CID 102723351
N-[2-[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]oxyethyl]prop-2-en-1-amine
CID 145018088
(2E,4E)-2-N-(2-propan-2-yloxypropyl)hepta-2,4,6-triene-2,5-diamine
CID 89073971
1-[4-[(2Z,4Z)-hepta-2,4,6-trienyl]morpholin-2-yl]-N-methylmethanamine
CID 89255240
N-(2-hexa-2,4-dien-2-yloxyethyl)propan-1-amine
CID 123924894

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine?
The IUPAC name of (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine (CID 137438950) is (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine.
What is the SMILES notation for (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine?
The canonical SMILES for (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine is C=C/C=C(/F)CNCC(C)OCC.
What is the InChIKey of (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine?
The InChIKey is NCVLGSZUUDKMPN-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-6-10(11)8-12-7-9(3)13-5-2/h4,6,9,12H,1,5,7-8H2,2-3H3/b10-6+.
What are the key properties of (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine?
(2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine has a molecular weight of 187.26 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-ethoxypropyl)-2-fluoropenta-2,4-dien-1-amine is sourced from PubChem (CID 137438950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).