1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine

C13H17NO2 — CID 107165772

IUPAC1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H17NO2/c1-13(4-5-13)8-14-7-10-2-3-11-12(6-10)16-9-15-11/h2-3,6,14H,4-5,7-9H2,1H3
InChIKeyHBRSJDRILVOIHR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.31
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine

1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine (PubChem CID 107165772) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
PubChem CID107165772
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
SMILESCC1(CNCc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C13H17NO2/c1-13(4-5-13)8-14-7-10-2-3-11-12(6-10)16-9-15-11/h2-3,6,14H,4-5,7-9H2,1H3
InChIKeyHBRSJDRILVOIHR-UHFFFAOYSA-N
XLogP2.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352053
1-(1,3-benzodioxol-5-yl)-N-[(3-ethyloxetan-3-yl)methyl]methanamine
CID 71853567
(4S)-4-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2,2-dimethyloxan-4-ol
CID 753773
N-(1,3-benzodioxol-5-ylmethyl)-2-fluoroethanamine
CID 80695679
[1-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexyl]methanol
CID 81411910
N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43144936
N-(1,3-benzodioxol-5-ylmethyl)methanesulfonamide
CID 591044
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
N-(1,3-benzodioxol-5-ylmethyl)butan-1-amine
CID 4721993
N'-(1,3-benzodioxol-5-ylmethyl)propane-1,3-diamine
CID 60890082
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
zinc;N'-(1,3-benzodioxol-5-ylmethyl)-N-[2-(1,3-benzodioxol-5-ylmethylamino)ethyl]ethane-1,2-diamine;dichloride;hydrate
CID 139073879

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine (CID 107165772) is 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine is CC1(CNCc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine?
The InChIKey is HBRSJDRILVOIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(4-5-13)8-14-7-10-2-3-11-12(6-10)16-9-15-11/h2-3,6,14H,4-5,7-9H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine?
1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine has a molecular weight of 219.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-[(1-methylcyclopropyl)methyl]methanamine is sourced from PubChem (CID 107165772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).