[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine

C13H15ClN2 — CID 116993791

IUPAC[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine
SMILESCc1c(Cl)c2ccccn2c1C1(CN)CC1
InChIInChI=1S/C13H15ClN2/c1-9-11(14)10-4-2-3-7-16(10)12(9)13(8-15)5-6-13/h2-4,7H,5-6,8,15H2,1H3
InChIKeyNBCKAONZGWNTNZ-UHFFFAOYSA-N
MW234.73 g/mol
LogP2.89
Rot. Bonds2

About [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine

[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine (PubChem CID 116993791) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine
PubChem CID116993791
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine
SMILESCc1c(Cl)c2ccccn2c1C1(CN)CC1
InChIInChI=1S/C13H15ClN2/c1-9-11(14)10-4-2-3-7-16(10)12(9)13(8-15)5-6-13/h2-4,7H,5-6,8,15H2,1H3
InChIKeyNBCKAONZGWNTNZ-UHFFFAOYSA-N
XLogP2.89
TPSA30.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-chloro-2-methylindolizin-3-yl)propan-1-amine
CID 116993714
3-amino-3-(1-chloro-2-methylindolizin-3-yl)propanoic acid
CID 116993787
2-(1-chloro-2-methylindolizin-3-yl)-N-methylpropan-2-amine
CID 116993755
1-chloro-2-methyl-3-(piperazin-1-ylmethyl)indolizine
CID 116993762
2-(1-chloro-2-methylindolizin-3-yl)butan-1-ol
CID 116993805
1-chloro-2-methyl-3-(piperidin-2-ylmethyl)indolizine
CID 116993733
[1-(1-methylindol-3-yl)cyclopropyl]methanamine
CID 82278323
[1-(2-chlorophenyl)cyclopropyl]methanamine;hydrochloride
CID 46736468
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentyl]methanamine
CID 115433694
[1-(2,3,4-trimethylphenyl)cyclopropyl]methanamine
CID 116963513
3-[(1,2-dimethylindolizin-3-yl)methyl]-1,2-dimethylindolizine
CID 1214543

Frequently Asked Questions

What is the IUPAC name of [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine (CID 116993791) is [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine is Cc1c(Cl)c2ccccn2c1C1(CN)CC1.
What is the InChIKey of [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine?
The InChIKey is NBCKAONZGWNTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9-11(14)10-4-2-3-7-16(10)12(9)13(8-15)5-6-13/h2-4,7H,5-6,8,15H2,1H3.
What are the key properties of [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine?
[1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine has a molecular weight of 234.73 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-chloro-2-methylindolizin-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116993791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).