1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine

C13H17NO3 — CID 83229225

IUPAC1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
SMILESc1cc2c(cc1CNOC1CCCC1)OCO2
InChIInChI=1S/C13H17NO3/c1-2-4-11(3-1)17-14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKeyCMFBLYQRMCJGLO-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.38
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine

1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine (PubChem CID 83229225) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
PubChem CID83229225
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine
SMILESc1cc2c(cc1CNOC1CCCC1)OCO2
InChIInChI=1S/C13H17NO3/c1-2-4-11(3-1)17-14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2
InChIKeyCMFBLYQRMCJGLO-UHFFFAOYSA-N
XLogP2.38
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[(cyclopentyloxyamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075747
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
2-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 64927485
1,3-benzodioxol-5-ylmethyl(cyclopentyl)azanium
CID 4745321
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-cyclohexylpyrimidine-4,6-diamine
CID 112856206
2-(1,3-benzodioxol-5-yl)-N-(cyclopropylmethyl)ethanamine
CID 67231826
N-(1,3-benzodioxol-5-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79828685
N-[3-(1,3-benzodioxol-5-ylmethoxy)propyl]cyclopropanamine
CID 62445720

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine (CID 83229225) is 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine is c1cc2c(cc1CNOC1CCCC1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine?
The InChIKey is CMFBLYQRMCJGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-4-11(3-1)17-14-8-10-5-6-12-13(7-10)16-9-15-12/h5-7,11,14H,1-4,8-9H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine?
1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine has a molecular weight of 235.28 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-cyclopentyloxymethanamine is sourced from PubChem (CID 83229225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).