N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine

C16H25N3 — CID 115316039

IUPACN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25N3/c1-17-11-15-4-3-8-19(15)12-13-5-6-16-14(10-13)7-9-18(16)2/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3
InChIKeySTBQPQRNKYEULO-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine

N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine (PubChem CID 115316039) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine
PubChem CID115316039
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1Cc1ccc2c(c1)CCN2C
InChIInChI=1S/C16H25N3/c1-17-11-15-4-3-8-19(15)12-13-5-6-16-14(10-13)7-9-18(16)2/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3
InChIKeySTBQPQRNKYEULO-UHFFFAOYSA-N
XLogP1.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
CID 63250976
1-[1-[(3-chloro-4-methylphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 120842701
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-2-yl)methanamine
CID 62095490
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057
1-[1-[(2-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 81490906
1-[1-[(4-bromo-3-nitrophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115558603
N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 62095155
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
1-(6-ethyl-1-methyl-3,4-dihydro-2H-quinolin-2-yl)-N-methylmethanamine
CID 84623138
1-[4-(2,3-dihydro-1H-inden-5-ylmethyl)morpholin-3-yl]-N-methylmethanamine
CID 83100150

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine (CID 115316039) is N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine is CNCC1CCCN1Cc1ccc2c(c1)CCN2C.
What is the InChIKey of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
The InChIKey is STBQPQRNKYEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-11-15-4-3-8-19(15)12-13-5-6-16-14(10-13)7-9-18(16)2/h5-6,10,15,17H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine has a molecular weight of 259.40 g/mol, XLogP of 1.86, 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-methyl-2,3-dihydroindol-5-yl)methyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 115316039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).