N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide

C11H20BrNO — CID 106829026

IUPACN-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(CBr)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C11H20BrNO/c1-9(8-12)13-10(14)11(2)6-4-3-5-7-11/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyYFSYJBUNFIMZRW-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.86
Rot. Bonds3

About N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106829026) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106829026
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC NameN-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCC(CBr)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C11H20BrNO/c1-9(8-12)13-10(14)11(2)6-4-3-5-7-11/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyYFSYJBUNFIMZRW-UHFFFAOYSA-N
XLogP2.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106829026) is N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide is CC(CBr)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is YFSYJBUNFIMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-9(8-12)13-10(14)11(2)6-4-3-5-7-11/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 262.19 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106829026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).