CID 58998076

C9H17N3O — CID 58998076

IUPAC—
SMILES[CH]NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C9H17N3O/c1-10-9(13)3-4-12-7-5-11(2)6-8-12/h1H,3-8H2,2H3,(H,10,13)
InChIKeyNWDDJMGJLGQCBD-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.59
Rot. Bonds3

About CID 58998076

CID 58998076 (PubChem CID 58998076) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol.

Molecular Properties

Compound NameCID 58998076
PubChem CID58998076
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name—
SMILES[CH]NC(=O)CCN1CCN(C)CC1
InChIInChI=1S/C9H17N3O/c1-10-9(13)3-4-12-7-5-11(2)6-8-12/h1H,3-8H2,2H3,(H,10,13)
InChIKeyNWDDJMGJLGQCBD-UHFFFAOYSA-N
XLogP-0.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
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3-(4-methylpiperazin-1-yl)-N-[10-(4-methylpiperazin-1-yl)-8-oxodecyl]propanamide
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3-[3-(4-methylpiperazin-1-yl)propanoylamino]pentanoic acid
CID 112517624
3-(4-methylpiperazin-1-yl)propaneperoxoic acid
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methyl 3-(4-methyl-1,4-diazepan-1-yl)propanoate
CID 25219281
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
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4-(4-methyl-1,4-diazepan-1-yl)butan-2-one
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Frequently Asked Questions

What is the IUPAC name of CID 58998076?
The IUPAC name of CID 58998076 (CID 58998076) is not available.
What is the SMILES notation for CID 58998076?
The canonical SMILES for CID 58998076 is [CH]NC(=O)CCN1CCN(C)CC1.
What is the InChIKey of CID 58998076?
The InChIKey is NWDDJMGJLGQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-10-9(13)3-4-12-7-5-11(2)6-8-12/h1H,3-8H2,2H3,(H,10,13).
What are the key properties of CID 58998076?
CID 58998076 has a molecular weight of 183.25 g/mol, XLogP of -0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998076 is sourced from PubChem (CID 58998076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).