molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide

C10H21NO — CID 165395427

IUPACmolecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)NC(=O)C1CCCCC1.[H][H]
InChIInChI=1S/C10H19NO.H2/c1-8(2)11-10(12)9-6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3,(H,11,12);1H
InChIKeyDZXJKNHAXKSUSR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.34
Rot. Bonds2

About molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide

molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide (PubChem CID 165395427) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
PubChem CID165395427
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Namemolecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
SMILESCC(C)NC(=O)C1CCCCC1.[H][H]
InChIInChI=1S/C10H19NO.H2/c1-8(2)11-10(12)9-6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3,(H,11,12);1H
InChIKeyDZXJKNHAXKSUSR-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide?
The IUPAC name of molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide (CID 165395427) is molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide.
What is the SMILES notation for molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide?
The canonical SMILES for molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide is CC(C)NC(=O)C1CCCCC1.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide?
The InChIKey is DZXJKNHAXKSUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.H2/c1-8(2)11-10(12)9-6-4-3-5-7-9;/h8-9H,3-7H2,1-2H3,(H,11,12);1H.
What are the key properties of molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide?
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide has a molecular weight of 171.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide is sourced from PubChem (CID 165395427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).