4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane

C15H24N4O — CID 167707987

IUPAC4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
SMILESCC.CN1CCCN(C)C1=NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N4O.C2H6/c1-16-8-3-9-17(2)13(16)15-12(18)10-4-6-11(14)7-5-10;1-2/h4-7H,3,8-9,14H2,1-2H3;1-2H3
InChIKeyZJWRBEHRVAMFMQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.06
Rot. Bonds1

About 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane

4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane (PubChem CID 167707987) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane.

Molecular Properties

Compound Name4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
PubChem CID167707987
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane
SMILESCC.CN1CCCN(C)C1=NC(=O)c1ccc(N)cc1
InChIInChI=1S/C13H18N4O.C2H6/c1-16-8-3-9-17(2)13(16)15-12(18)10-4-6-11(14)7-5-10;1-2/h4-7H,3,8-9,14H2,1-2H3;1-2H3
InChIKeyZJWRBEHRVAMFMQ-UHFFFAOYSA-N
XLogP2.06
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(propylamino)-4(3H)-quinazolinone
CID 135439661
4(1H)-Quinazolinone, 2-(4-methyl-1-piperazinyl)-
CID 135399236
4-(Piperidin-1-ylcarbonyl)aniline
CID 577812
(4-Aminophenyl)(4-methylpiperazin-1-yl)methanone
CID 231408
4-[(N'-ethylcarbamimidoyl)amino]-N-[4-[(N'-ethylcarbamimidoyl)amino]phenyl]benzamide;hydrochloride
CID 90675726
US9873709, Example 2-352
CID 145713434
2-(piperazin-1-yl)quinazolin-4(3H)-one
CID 135449339
4(3H)-Quinazolinone, 2-piperidino-
CID 135456253
4-(4-Methylpiperidine-1-carbonyl)aniline
CID 1132825
1-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]ethan-1-one
CID 23275067
4-Guanidino-N-[(S)-4-((S)-5-{4-[2-(2-imino-imidazolidin-1-yl)-acetylamino]-butyl}-3,6-dioxo-piperazin-2-yl)-butyl]-benzamide
CID 44390015
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)benzamide
CID 433472

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane?
The IUPAC name of 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane (CID 167707987) is 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane.
What is the SMILES notation for 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane?
The canonical SMILES for 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane is CC.CN1CCCN(C)C1=NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane?
The InChIKey is ZJWRBEHRVAMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.C2H6/c1-16-8-3-9-17(2)13(16)15-12(18)10-4-6-11(14)7-5-10;1-2/h4-7H,3,8-9,14H2,1-2H3;1-2H3.
What are the key properties of 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane?
4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane has a molecular weight of 276.38 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dimethyl-1,3-diazinan-2-ylidene)benzamide;ethane is sourced from PubChem (CID 167707987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).