N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine

C14H19NO2 — CID 170759950

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
SMILESCC(Cc1ccc2c(c1)OCO2)NC1CCC1
InChIInChI=1S/C14H19NO2/c1-10(15-12-3-2-4-12)7-11-5-6-13-14(8-11)17-9-16-13/h5-6,8,10,12,15H,2-4,7,9H2,1H3
InChIKeyKYIUDHPCXQKSEC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds4

About N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine (PubChem CID 170759950) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
PubChem CID170759950
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine
SMILESCC(Cc1ccc2c(c1)OCO2)NC1CCC1
InChIInChI=1S/C14H19NO2/c1-10(15-12-3-2-4-12)7-11-5-6-13-14(8-11)17-9-16-13/h5-6,8,10,12,15H,2-4,7,9H2,1H3
InChIKeyKYIUDHPCXQKSEC-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine
CID 854031
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
1-(1,3-benzodioxol-5-yl)-N-ethylpropan-2-amine;hydrochloride
CID 3057998
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-methylcyclopentan-1-amine
CID 115714684
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-propan-2-ylpropan-2-amine
CID 82262479
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexylethanamine
CID 43767433
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
5-(2-methylpropyl)-1,3-benzodioxole;6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 162024292
1,3-benzodioxol-5-ylmethyl-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]azanium
CID 7236826

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine (CID 170759950) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine is CC(Cc1ccc2c(c1)OCO2)NC1CCC1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine?
The InChIKey is KYIUDHPCXQKSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(15-12-3-2-4-12)7-11-5-6-13-14(8-11)17-9-16-13/h5-6,8,10,12,15H,2-4,7,9H2,1H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine has a molecular weight of 233.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]cyclobutanamine is sourced from PubChem (CID 170759950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).