N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide

C12H20ClNO — CID 103969527

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(CCl)CCCCC1)C1CC1
InChIInChI=1S/C12H20ClNO/c13-8-12(6-2-1-3-7-12)9-14-11(15)10-4-5-10/h10H,1-9H2,(H,14,15)
InChIKeyBPPDCGSQXPHZTJ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.70
Rot. Bonds4

About N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide

N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide (PubChem CID 103969527) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
PubChem CID103969527
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(CCl)CCCCC1)C1CC1
InChIInChI=1S/C12H20ClNO/c13-8-12(6-2-1-3-7-12)9-14-11(15)10-4-5-10/h10H,1-9H2,(H,14,15)
InChIKeyBPPDCGSQXPHZTJ-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.70
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-(chloromethyl)cyclohexyl]methyl]thiolane-3-carboxamide
CID 103969362
N-[[1-(chloromethyl)cyclohexyl]methyl]oxolane-3-carboxamide
CID 103969555
4-butyl-N-[[1-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 115364050
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115363944
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
4,4-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 115774921
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
CID 103969599
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
CID 80717782
N-[[1-(aminomethyl)cyclohexyl]methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 103970120
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide (CID 103969527) is N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide is O=C(NCC1(CCl)CCCCC1)C1CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide?
The InChIKey is BPPDCGSQXPHZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c13-8-12(6-2-1-3-7-12)9-14-11(15)10-4-5-10/h10H,1-9H2,(H,14,15).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.70, 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]cyclopropanecarboxamide is sourced from PubChem (CID 103969527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).