N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine

C16H23N3 — CID 63263270

IUPACN-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C16H23N3/c1-17-9-13-7-8-19(10-13)12-14-11-18(2)16-6-4-3-5-15(14)16/h3-6,11,13,17H,7-10,12H2,1-2H3
InChIKeyWPKNAJNKMJRTML-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.22
Rot. Bonds4

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

N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 63263270) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID63263270
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(Cc2cn(C)c3ccccc23)C1
InChIInChI=1S/C16H23N3/c1-17-9-13-7-8-19(10-13)12-14-11-18(2)16-6-4-3-5-15(14)16/h3-6,11,13,17H,7-10,12H2,1-2H3
InChIKeyWPKNAJNKMJRTML-UHFFFAOYSA-N
XLogP2.22
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 55030033
N-[[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 80550532
1-methyl-3-[[(3S)-3-phenylpyrrolidin-1-yl]methyl]indole
CID 162743380
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
1-[1-[(2,6-dimethylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 81493001
(3S,4aS,8aR)-N-methyl-6-[(1-methylindol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-3-carboxamide
CID 124815692
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
(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

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine (CID 63263270) is N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine is CNCC1CCN(Cc2cn(C)c3ccccc23)C1.
What is the InChIKey of N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WPKNAJNKMJRTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-17-9-13-7-8-19(10-13)12-14-11-18(2)16-6-4-3-5-15(14)16/h3-6,11,13,17H,7-10,12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 63263270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).