CID 43558595

C13H26N3O — CID 43558595

IUPAC—
SMILESCN(C)CCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C13H26N3O/c1-16(2)10-4-9-15-13(17)7-6-12-5-3-8-14-11-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyYVOXIHYDXNGDPA-UHFFFAOYSA-N
MW240.37 g/mol
LogP0.85
Rot. Bonds7

About CID 43558595

CID 43558595 (PubChem CID 43558595) has the molecular formula C13H26N3O and a molecular weight of 240.37 g/mol.

Molecular Properties

Compound NameCID 43558595
PubChem CID43558595
Molecular FormulaC13H26N3O
Molecular Weight240.37 g/mol
Exact Mass240.21
IUPAC Name—
SMILESCN(C)CCCNC(=O)CCC1CCC[N]C1
InChIInChI=1S/C13H26N3O/c1-16(2)10-4-9-15-13(17)7-6-12-5-3-8-14-11-12/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyYVOXIHYDXNGDPA-UHFFFAOYSA-N
XLogP0.85
TPSA46.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 43558561
CID 43558561
CID 43558533
CID 43558533
CID 43558701
CID 43558701
CID 43558685
CID 43558685
CID 43558668
CID 43558668
N-[3-(dimethylamino)propyl]-3-(1,1-dioxothiolan-3-yl)propanamide
CID 110300491
CID 43558680
CID 43558680
CID 43558669
CID 43558669
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
3-(cycloheptylamino)-N-[3-(dimethylamino)propyl]propanamide
CID 109016915
CID 43558687
CID 43558687
3-(4,5-dihydro-3H-azepin-5-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 90705990

Frequently Asked Questions

What is the IUPAC name of CID 43558595?
The IUPAC name of CID 43558595 (CID 43558595) is not available.
What is the SMILES notation for CID 43558595?
The canonical SMILES for CID 43558595 is CN(C)CCCNC(=O)CCC1CCC[N]C1.
What is the InChIKey of CID 43558595?
The InChIKey is YVOXIHYDXNGDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N3O/c1-16(2)10-4-9-15-13(17)7-6-12-5-3-8-14-11-12/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of CID 43558595?
CID 43558595 has a molecular weight of 240.37 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 43558595 is sourced from PubChem (CID 43558595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).