CID 178010966

C13H28N4O+ — CID 178010966

IUPAC—
SMILESCCNCCCNC(=O)C1=C[N+](C(C)(C)C)=N[CH]1.[H][H].[H][H]
InChIInChI=1S/C13H23N4O.2H2/c1-5-14-7-6-8-15-12(18)11-9-16-17(10-11)13(2,3)4;;/h9-10,14H,5-8H2,1-4H3;2*1H/p+1
InChIKeyLCERRRJPBNPDOT-UHFFFAOYSA-O
MW256.39 g/mol
LogP1.92
Rot. Bonds6

About CID 178010966

CID 178010966 (PubChem CID 178010966) has the molecular formula C13H28N4O+ and a molecular weight of 256.39 g/mol.

Molecular Properties

Compound NameCID 178010966
PubChem CID178010966
Molecular FormulaC13H28N4O+
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name—
SMILESCCNCCCNC(=O)C1=C[N+](C(C)(C)C)=N[CH]1.[H][H].[H][H]
InChIInChI=1S/C13H23N4O.2H2/c1-5-14-7-6-8-15-12(18)11-9-16-17(10-11)13(2,3)4;;/h9-10,14H,5-8H2,1-4H3;2*1H/p+1
InChIKeyLCERRRJPBNPDOT-UHFFFAOYSA-O
XLogP1.92
TPSA56.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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(1E,5Z,7Z)-N-[6-(ethylamino)hexyl]cycloocta-1,5,7-triene-1-carboxamide;molecular hydrogen
CID 169208625
N-[3-(ethylamino)propyl]-2,3-difluorobenzamide
CID 62662463
4-bromo-N-[3-(ethylamino)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 43640199
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
N-[3-(ethylamino)propyl]-3,4,4-trimethylpentanamide
CID 63834541
N-[3-(ethylamino)propyl]-3-hydroxy-2-methylbenzamide
CID 82829925
N-[3-(ethylamino)propyl]-2-sulfanylpropanamide
CID 107023996
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
5-bromo-N-[3-(ethylamino)propyl]thiophene-3-carboxamide
CID 103805592
4-bromo-N-[3-(ethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43601766

Frequently Asked Questions

What is the IUPAC name of CID 178010966?
The IUPAC name of CID 178010966 (CID 178010966) is not available.
What is the SMILES notation for CID 178010966?
The canonical SMILES for CID 178010966 is CCNCCCNC(=O)C1=C[N+](C(C)(C)C)=N[CH]1.[H][H].[H][H].
What is the InChIKey of CID 178010966?
The InChIKey is LCERRRJPBNPDOT-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H23N4O.2H2/c1-5-14-7-6-8-15-12(18)11-9-16-17(10-11)13(2,3)4;;/h9-10,14H,5-8H2,1-4H3;2*1H/p+1.
What are the key properties of CID 178010966?
CID 178010966 has a molecular weight of 256.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178010966 is sourced from PubChem (CID 178010966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).