N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide

C12H22ClNO — CID 103969430

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(2)11(15)14-9-12(8-13)6-4-3-5-7-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyJWJKJKKRDKHXDD-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide (PubChem CID 103969430) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
PubChem CID103969430
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C12H22ClNO/c1-10(2)11(15)14-9-12(8-13)6-4-3-5-7-12/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyJWJKJKKRDKHXDD-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 58767519
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,3-dimethylbutanamide
CID 115456092
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethylhexanamide
CID 103969559
2-methyl-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737357
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
2-methyl-N-[(1-propan-2-ylcyclopropyl)methyl]propanamide
CID 103742398
2-chloro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 65105224
N-[[1-(chloromethyl)cyclohexyl]methyl]decanamide
CID 103969577
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide (CID 103969430) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide?
The InChIKey is JWJKJKKRDKHXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-10(2)11(15)14-9-12(8-13)6-4-3-5-7-12/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 103969430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).