(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid

C16H29F3N2O4 — CID 11749012

IUPAC(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid
SMILESCCCCC/C=C/C(=O)N(O)CCCCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C14H28N2O2.C2HF3O2/c1-2-3-4-5-8-11-14(17)16(18)13-10-7-6-9-12-15;3-2(4,5)1(6)7/h8,11,18H,2-7,9-10,12-13,15H2,1H3;(H,6,7)/b11-8+;
InChIKeyNFSIEQKFHIGFAY-YGCVIUNWSA-N
MW370.41 g/mol
LogP3.49
Rot. Bonds11

About (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid

(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid (PubChem CID 11749012) has the molecular formula C16H29F3N2O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid
PubChem CID11749012
Molecular FormulaC16H29F3N2O4
Molecular Weight370.41 g/mol
Exact Mass370.21
IUPAC Name(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid
SMILESCCCCC/C=C/C(=O)N(O)CCCCCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C14H28N2O2.C2HF3O2/c1-2-3-4-5-8-11-14(17)16(18)13-10-7-6-9-12-15;3-2(4,5)1(6)7/h8,11,18H,2-7,9-10,12-13,15H2,1H3;(H,6,7)/b11-8+;
InChIKeyNFSIEQKFHIGFAY-YGCVIUNWSA-N
XLogP3.49
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dodecan-1-amine;2,2,2-trifluoroacetic acid
CID 71401775
7-aminohept-2-enoic acid;2,2,2-trifluoroacetic acid
CID 171151929
tert-butyl N-[6-[hydroxy-[(E)-oct-2-enoyl]amino]hexyl]carbamate
CID 11462443
N,N-dimethylpentadec-2-enamide
CID 123899063
1,1,1-trifluoronon-3-en-2-one
CID 91436978
N,N-dioctyloctan-1-amine;(Z)-octadec-9-en-1-amine
CID 175208767
hexadecanoic acid;octadec-9-en-1-amine
CID 74935183
dodecan-1-amine;octadec-9-enoic acid
CID 71446756
(Z)-octadec-9-enoic acid;tetradecan-1-amine
CID 173122543
hexacos-7-en-1-amine
CID 54386716
(Z)-hexacos-9-en-1-amine
CID 139899136
(9Z,27Z)-hexatriaconta-9,27-dien-1-amine
CID 150821100

Frequently Asked Questions

What is the IUPAC name of (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid (CID 11749012) is (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid is CCCCC/C=C/C(=O)N(O)CCCCCCN.O=C(O)C(F)(F)F.
What is the InChIKey of (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid?
The InChIKey is NFSIEQKFHIGFAY-YGCVIUNWSA-N. The full InChI is InChI=1S/C14H28N2O2.C2HF3O2/c1-2-3-4-5-8-11-14(17)16(18)13-10-7-6-9-12-15;3-2(4,5)1(6)7/h8,11,18H,2-7,9-10,12-13,15H2,1H3;(H,6,7)/b11-8+;.
What are the key properties of (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid?
(E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid has a molecular weight of 370.41 g/mol, XLogP of 3.49, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-aminohexyl)-N-hydroxyoct-2-enamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 11749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).