2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide

C17H29FN2O — CID 137402750

IUPAC2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide
SMILESC=CCC(/C=C/F)C1CC1NCC(=O)N(CCC)CCC
InChIInChI=1S/C17H29FN2O/c1-4-7-14(8-9-18)15-12-16(15)19-13-17(21)20(10-5-2)11-6-3/h4,8-9,14-16,19H,1,5-7,10-13H2,2-3H3/b9-8+
InChIKeyBNXYQYJYHUYECH-CMDGGOBGSA-N
MW296.43 g/mol
LogP3.29
Rot. Bonds11

About 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide

2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide (PubChem CID 137402750) has the molecular formula C17H29FN2O and a molecular weight of 296.43 g/mol. Its IUPAC name is 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide
PubChem CID137402750
Molecular FormulaC17H29FN2O
Molecular Weight296.43 g/mol
Exact Mass296.23
IUPAC Name2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide
SMILESC=CCC(/C=C/F)C1CC1NCC(=O)N(CCC)CCC
InChIInChI=1S/C17H29FN2O/c1-4-7-14(8-9-18)15-12-16(15)19-13-17(21)20(10-5-2)11-6-3/h4,8-9,14-16,19H,1,5-7,10-13H2,2-3H3/b9-8+
InChIKeyBNXYQYJYHUYECH-CMDGGOBGSA-N
XLogP3.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide (CID 137402750) is 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide is C=CCC(/C=C/F)C1CC1NCC(=O)N(CCC)CCC.
What is the InChIKey of 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide?
The InChIKey is BNXYQYJYHUYECH-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H29FN2O/c1-4-7-14(8-9-18)15-12-16(15)19-13-17(21)20(10-5-2)11-6-3/h4,8-9,14-16,19H,1,5-7,10-13H2,2-3H3/b9-8+.
What are the key properties of 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide?
2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide has a molecular weight of 296.43 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1E)-1-fluorohexa-1,5-dien-3-yl]cyclopropyl]amino]-N,N-dipropylacetamide is sourced from PubChem (CID 137402750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).