1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine

C14H19N3 — CID 55030033

IUPAC1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CN2CCC(N)C2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-16-8-11(9-17-7-6-12(15)10-17)13-4-2-3-5-14(13)16/h2-5,8,12H,6-7,9-10,15H2,1H3
InChIKeyUNUQMYJELKWKLT-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.71
Rot. Bonds2

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

1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 55030033) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID55030033
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
SMILESCn1cc(CN2CCC(N)C2)c2ccccc21
InChIInChI=1S/C14H19N3/c1-16-8-11(9-17-7-6-12(15)10-17)13-4-2-3-5-14(13)16/h2-5,8,12H,6-7,9-10,15H2,1H3
InChIKeyUNUQMYJELKWKLT-UHFFFAOYSA-N
XLogP1.71
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 63263270
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
(5aS,9aR)-4-methyl-7-[(1-methylindol-3-yl)methyl]-3,5a,6,8,9,9a-hexahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
CID 146070032
(3S)-1-[(1-ethylindazol-3-yl)methyl]pyrrolidin-3-amine
CID 113282469
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
(3R)-1-(1-benzothiophen-3-ylmethyl)pyrrolidin-3-amine;hydrochloride
CID 119905365
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
CID 107235605

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine (CID 55030033) is 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine is Cn1cc(CN2CCC(N)C2)c2ccccc21.
What is the InChIKey of 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is UNUQMYJELKWKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-16-8-11(9-17-7-6-12(15)10-17)13-4-2-3-5-14(13)16/h2-5,8,12H,6-7,9-10,15H2,1H3.
What are the key properties of 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine?
1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 229.33 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 55030033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).