(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen

C17H32N2O — CID 169208625

IUPAC(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen
SMILESCCNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1.[H][H].[H][H]
InChIInChI=1S/C17H28N2O.2H2/c1-2-18-14-10-6-7-11-15-19-17(20)16-12-8-4-3-5-9-13-16;;/h3-4,8,12-13,18H,2,5-7,9-11,14-15H2,1H3,(H,19,20);2*1H/b4-3-,12-8-,16-13+;;
InChIKeyNMRJIVIUPFOMMW-RHDKWHLOSA-N
MW280.46 g/mol
LogP3.60
Rot. Bonds9

About (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen

(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen (PubChem CID 169208625) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen
PubChem CID169208625
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen
SMILESCCNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1.[H][H].[H][H]
InChIInChI=1S/C17H28N2O.2H2/c1-2-18-14-10-6-7-11-15-19-17(20)16-12-8-4-3-5-9-13-16;;/h3-4,8,12-13,18H,2,5-7,9-11,14-15H2,1H3,(H,19,20);2*1H/b4-3-,12-8-,16-13+;;
InChIKeyNMRJIVIUPFOMMW-RHDKWHLOSA-N
XLogP3.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(1E,5Z,7Z)-N-(6-hydrazinylhexyl)cycloocta-1,5,7-triene-1-carboxamide
CID 177166188
CID 178010966
CID 178010966
2-(cyclohexa-1,5-diene-1-carbonylamino)acetic acid
CID 54330451
N-[5-[2-(ethylamino)ethylamino]pentyl]butanamide;molecular hydrogen
CID 156795142
10-(ethylamino)decanoic acid
CID 57308942
8-(ethylamino)octan-2-one
CID 170584616
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-[8-(ethylamino)octyl]-1-propan-2-ylcyclopropane-1-carboxamide
CID 156820596
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
N-(3-aminopropyl)cyclooctatetraenecarboxamide
CID 172858129

Frequently Asked Questions

What is the IUPAC name of (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen?
The IUPAC name of (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen (CID 169208625) is (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen?
The canonical SMILES for (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen is CCNCCCCCCNC(=O)C1=C/CC/C=C/C=C\1.[H][H].[H][H].
What is the InChIKey of (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen?
The InChIKey is NMRJIVIUPFOMMW-RHDKWHLOSA-N. The full InChI is InChI=1S/C17H28N2O.2H2/c1-2-18-14-10-6-7-11-15-19-17(20)16-12-8-4-3-5-9-13-16;;/h3-4,8,12-13,18H,2,5-7,9-11,14-15H2,1H3,(H,19,20);2*1H/b4-3-,12-8-,16-13+;;.
What are the key properties of (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen?
(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen has a molecular weight of 280.46 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 169208625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).