1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine

C13H17N3 — CID 116947044

IUPAC1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
SMILESCn1cc(C(N)C2(N)CC2)c2ccccc21
InChIInChI=1S/C13H17N3/c1-16-8-10(12(14)13(15)6-7-13)9-4-2-3-5-11(9)16/h2-5,8,12H,6-7,14-15H2,1H3
InChIKeyNWEFJSSFIYRUHS-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.67
Rot. Bonds2

About 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine

1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 116947044) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
PubChem CID116947044
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine
SMILESCn1cc(C(N)C2(N)CC2)c2ccccc21
InChIInChI=1S/C13H17N3/c1-16-8-10(12(14)13(15)6-7-13)9-4-2-3-5-11(9)16/h2-5,8,12H,6-7,14-15H2,1H3
InChIKeyNWEFJSSFIYRUHS-UHFFFAOYSA-N
XLogP1.67
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-propan-2-ylindole
CID 10942942
methoxy-(1-methylindol-3-yl)methanamine
CID 116947283
(1S)-2,2-dimethyl-1-(1-methylindol-3-yl)propan-1-amine;hydrochloride
CID 171241948
cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
CID 174852068
(1R)-2-amino-1-(1-methylindol-3-yl)ethanol
CID 39238214
N'-methyl-1-(1-methylindol-3-yl)ethane-1,2-diamine
CID 116932472
(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
2-amino-1-(1-methylindol-3-yl)ethanethiol
CID 116868623
1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
2,2-dimethyl-1-(1-methylindol-3-yl)propane-1,3-diamine
CID 116933418

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine (CID 116947044) is 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine is Cn1cc(C(N)C2(N)CC2)c2ccccc21.
What is the InChIKey of 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is NWEFJSSFIYRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-8-10(12(14)13(15)6-7-13)9-4-2-3-5-11(9)16/h2-5,8,12H,6-7,14-15H2,1H3.
What are the key properties of 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine?
1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 215.30 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(1-methylindol-3-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 116947044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).