[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine

C10H18ClNO — CID 77104703

IUPAC[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCC=CCl
InChIInChI=1S/C10H18ClNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h2,5,9-10H,1,3-4,6-8,12H2
InChIKeyNVZBVQYGSHFPIT-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.13
Rot. Bonds5

About [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine

[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine (PubChem CID 77104703) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine
PubChem CID77104703
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCC=CCl
InChIInChI=1S/C10H18ClNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h2,5,9-10H,1,3-4,6-8,12H2
InChIKeyNVZBVQYGSHFPIT-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
CID 102898886
2-[2-[[2-(aminomethyl)cyclohexyl]methoxy]ethoxy]ethanol
CID 106938444
[2-(cycloheptyloxymethyl)cyclopentyl]methanamine
CID 82928660
[2-(hept-6-enoxymethyl)cyclohexyl]methanamine
CID 107007728
[2-[2-(4-methylpiperazin-1-yl)ethoxymethyl]cyclopentyl]methanamine
CID 82892394
1-[2-[[2-(aminomethyl)cyclopentyl]methoxy]ethyl]imidazolidin-2-one
CID 106938474
[2-(2,2-diethoxyethoxymethyl)cyclohexyl]methanamine
CID 115486774
[2-(furan-3-ylmethoxymethyl)cyclopentyl]methanamine
CID 83172874
[2-[(5-fluoropyrimidin-2-yl)oxymethyl]cyclopentyl]methanamine
CID 104606585
[2-[(2,2-difluoro-2-phenylethoxy)methyl]cyclopentyl]methanamine
CID 116789866
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine (CID 77104703) is [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine is NCC1CCCC1COCC=CCl.
What is the InChIKey of [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine?
The InChIKey is NVZBVQYGSHFPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h2,5,9-10H,1,3-4,6-8,12H2.
What are the key properties of [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine?
[2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine has a molecular weight of 203.71 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloroprop-2-enoxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 77104703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).