1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine

C14H19NO2 — CID 83911792

IUPAC1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(C)C(c1ccc2c(c1)OCO2)C1(N)CC1
InChIInChI=1S/C14H19NO2/c1-9(2)13(14(15)5-6-14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyQDKSSHFXEGAZOP-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds3

About 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine

1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine (PubChem CID 83911792) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine
PubChem CID83911792
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine
SMILESCC(C)C(c1ccc2c(c1)OCO2)C1(N)CC1
InChIInChI=1S/C14H19NO2/c1-9(2)13(14(15)5-6-14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3
InChIKeyQDKSSHFXEGAZOP-UHFFFAOYSA-N
XLogP2.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-(1,3-benzodioxol-5-yl)propan-1-ol
CID 93258024
(1R,2R)-1,2-bis(1,3-benzodioxol-5-yl)ethane-1,2-diol
CID 11185720
1-(1,3-benzodioxol-5-yl)-2-bromopropan-1-ol
CID 12779709
1-[2,3-dihydro-1,4-benzodioxin-6-yl(dimethylamino)methyl]cyclopropan-1-amine
CID 116914101
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
2-(1,3-benzodioxol-5-yl)propan-1-ol
CID 82075044
1-(1,3-benzodioxol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948054
5-(1-chloro-4-methylpentan-3-yl)-1,3-benzodioxole
CID 82084566
(2S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylbutanamide
CID 61178173
1-(1,3-benzodioxol-5-yl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 116945872

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine (CID 83911792) is 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine is CC(C)C(c1ccc2c(c1)OCO2)C1(N)CC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine?
The InChIKey is QDKSSHFXEGAZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9(2)13(14(15)5-6-14)10-3-4-11-12(7-10)17-8-16-11/h3-4,7,9,13H,5-6,8,15H2,1-2H3.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine?
1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)-2-methylpropyl]cyclopropan-1-amine is sourced from PubChem (CID 83911792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).