N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

C15H21NO2 — CID 62713176

IUPACN-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-10(2)7-16-8-12-5-13(12)11-3-4-14-15(6-11)18-9-17-14/h3-4,6,10,12-13,16H,5,7-9H2,1-2H3
InChIKeyGFQSQVNUANYEQK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds5

About N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine

N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (PubChem CID 62713176) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
PubChem CID62713176
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CC1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO2/c1-10(2)7-16-8-12-5-13(12)11-3-4-14-15(6-11)18-9-17-14/h3-4,6,10,12-13,16H,5,7-9H2,1-2H3
InChIKeyGFQSQVNUANYEQK-UHFFFAOYSA-N
XLogP2.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 62709080
N-[[2-(4-ethylphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62712268
N-[[2-(3-fluoro-4-methoxyphenyl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 65101606
N-[[2-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 62713350
2-methyl-N-[(2-thiophen-3-ylcyclopropyl)methyl]propan-1-amine
CID 62712093
2-methyl-N-[[2-(4-propoxyphenyl)cyclopropyl]methyl]propan-1-amine
CID 55210303
2-methyl-N-[[2-[5-(2-methylcyclopropyl)furan-2-yl]cyclopropyl]methyl]propan-1-amine
CID 62712993
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[2-(1,3-benzodioxol-5-ylmethoxy)propyl]-2-methylpropan-1-amine
CID 62445715
5-[4-[2-[2-(sulfinatoamino)propyl]cyclopropyl]phenyl]-1,3-benzodioxole
CID 67320068
N-[[2-(7-chloro-1,3-benzodioxol-5-yl)cyclopropyl]methyl]propan-1-amine
CID 62708725
N-[[2-(3,4-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 81023599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine (CID 62713176) is N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CC1c1ccc2c(c1)OCO2.
What is the InChIKey of N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GFQSQVNUANYEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10(2)7-16-8-12-5-13(12)11-3-4-14-15(6-11)18-9-17-14/h3-4,6,10,12-13,16H,5,7-9H2,1-2H3.
What are the key properties of N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine?
N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,3-benzodioxol-5-yl)cyclopropyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62713176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).