N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine

C14H24ClN3 — CID 113294619

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
SMILESCCc1cc(CNCC2(CCl)CCCC2)n(C)n1
InChIInChI=1S/C14H24ClN3/c1-3-12-8-13(18(2)17-12)9-16-11-14(10-15)6-4-5-7-14/h8,16H,3-7,9-11H2,1-2H3
InChIKeyBKNQUNJSYXMVSB-UHFFFAOYSA-N
MW269.82 g/mol
LogP2.87
Rot. Bonds6

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine (PubChem CID 113294619) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
PubChem CID113294619
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine
SMILESCCc1cc(CNCC2(CCl)CCCC2)n(C)n1
InChIInChI=1S/C14H24ClN3/c1-3-12-8-13(18(2)17-12)9-16-11-14(10-15)6-4-5-7-14/h8,16H,3-7,9-11H2,1-2H3
InChIKeyBKNQUNJSYXMVSB-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103969422
[1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66025218
2-chloro-3-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]pentan-1-amine
CID 106286036
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79870277
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(thian-2-yl)methanamine
CID 80601177
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 103969206
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 103970100
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-iodopentan-1-amine
CID 107320052
1-(3-ethyl-1-methylpyrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 79236885
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 113359893

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine (CID 113294619) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine is CCc1cc(CNCC2(CCl)CCCC2)n(C)n1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
The InChIKey is BKNQUNJSYXMVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-3-12-8-13(18(2)17-12)9-16-11-14(10-15)6-4-5-7-14/h8,16H,3-7,9-11H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine has a molecular weight of 269.82 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(3-ethyl-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 113294619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).