1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine

C12H22ClNO — CID 106120936

IUPAC1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
SMILESCC1CCC(CNCC2CCC(Cl)C2)O1
InChIInChI=1S/C12H22ClNO/c1-9-2-5-12(15-9)8-14-7-10-3-4-11(13)6-10/h9-12,14H,2-8H2,1H3
InChIKeyBQNGYBFEIUPWGQ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.55
Rot. Bonds4

About 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine

1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine (PubChem CID 106120936) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
PubChem CID106120936
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine
SMILESCC1CCC(CNCC2CCC(Cl)C2)O1
InChIInChI=1S/C12H22ClNO/c1-9-2-5-12(15-9)8-14-7-10-3-4-11(13)6-10/h9-12,14H,2-8H2,1H3
InChIKeyBQNGYBFEIUPWGQ-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[(2S,4S)-4-methyloxolan-2-yl]methyl]ethanamine
CID 131968025
2-chloro-N-[[(2S)-4-methyloxolan-2-yl]methyl]ethanamine
CID 131968045
1-cyclopentyl-N-(oxolan-2-ylmethyl)methanamine
CID 43371113
1-(2-chlorocyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 65025274
1-(chloromethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65025764
1-chloro-4-methyl-N-(oxolan-2-ylmethyl)pentan-2-amine
CID 65025830
3-(chloromethyl)-N-(oxolan-2-ylmethyl)pentan-3-amine
CID 65030202
3-chloro-2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 65031668
1-(2-chlorocyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 65832845
N-[(2-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65834462
2-butoxy-N-[(2-chlorocyclopentyl)methyl]ethanamine
CID 65834869
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanamine
CID 65835454

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine (CID 106120936) is 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine is CC1CCC(CNCC2CCC(Cl)C2)O1.
What is the InChIKey of 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
The InChIKey is BQNGYBFEIUPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-9-2-5-12(15-9)8-14-7-10-3-4-11(13)6-10/h9-12,14H,2-8H2,1H3.
What are the key properties of 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine?
1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine has a molecular weight of 231.77 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclopentyl)-N-[(5-methyloxolan-2-yl)methyl]methanamine is sourced from PubChem (CID 106120936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).