[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine

C14H16N2O2 — CID 82497562

IUPAC[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
SMILESCn1cc(C2(CN)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H16N2O2/c1-16-6-10(14(7-15)2-3-14)9-4-12-13(5-11(9)16)18-8-17-12/h4-6H,2-3,7-8,15H2,1H3
InChIKeyJOXYVRPAKALLPV-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.90
Rot. Bonds2

About [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine

[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine (PubChem CID 82497562) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
PubChem CID82497562
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
SMILESCn1cc(C2(CN)CC2)c2cc3c(cc21)OCO3
InChIInChI=1S/C14H16N2O2/c1-16-6-10(14(7-15)2-3-14)9-4-12-13(5-11(9)16)18-8-17-12/h4-6H,2-3,7-8,15H2,1H3
InChIKeyJOXYVRPAKALLPV-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-fluoro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278328
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
[1-(5-ethyl-1-methylindol-3-yl)cyclopentyl]methanamine
CID 82278342
[4-(6-fluoro-1-methylindol-3-yl)oxan-4-yl]methanamine
CID 82278363
3-methyl-2-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)butan-1-amine
CID 82500559
N,N-dimethyl-1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethane-1,2-diamine
CID 82500912
6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol
CID 117295658
1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)ethanone
CID 11171971
[1-(5,7-dimethoxy-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82500584
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
[1-(7-chloro-1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278339
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830

Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine (CID 82497562) is [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine is Cn1cc(C2(CN)CC2)c2cc3c(cc21)OCO3.
What is the InChIKey of [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine?
The InChIKey is JOXYVRPAKALLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-16-6-10(14(7-15)2-3-14)9-4-12-13(5-11(9)16)18-8-17-12/h4-6H,2-3,7-8,15H2,1H3.
What are the key properties of [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine?
[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine has a molecular weight of 244.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine is sourced from PubChem (CID 82497562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).