N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide

C18H35N3O2 — CID 123439330

IUPACN-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide
SMILESCNN(CCCN(C)C)C(=O)C1CCCCC1C(=O)C(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-18(2,3)16(22)14-10-7-8-11-15(14)17(23)21(19-4)13-9-12-20(5)6/h14-15,19H,7-13H2,1-6H3
InChIKeyUWTQTSXHTRCOSX-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.32
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide

N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide (PubChem CID 123439330) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide
PubChem CID123439330
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide
SMILESCNN(CCCN(C)C)C(=O)C1CCCCC1C(=O)C(C)(C)C
InChIInChI=1S/C18H35N3O2/c1-18(2,3)16(22)14-10-7-8-11-15(14)17(23)21(19-4)13-9-12-20(5)6/h14-15,19H,7-13H2,1-6H3
InChIKeyUWTQTSXHTRCOSX-UHFFFAOYSA-N
XLogP2.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide (CID 123439330) is N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide is CNN(CCCN(C)C)C(=O)C1CCCCC1C(=O)C(C)(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide?
The InChIKey is UWTQTSXHTRCOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)16(22)14-10-7-8-11-15(14)17(23)21(19-4)13-9-12-20(5)6/h14-15,19H,7-13H2,1-6H3.
What are the key properties of N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide?
N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide has a molecular weight of 325.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N'-methylcyclohexane-1-carbohydrazide is sourced from PubChem (CID 123439330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).