[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine

C16H24N2 — CID 120772403

IUPAC[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-16(11-17)9-10-18(12-16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15H,4,6,8-12,17H2,1H3
InChIKeyHRHCRNBJKJPSCE-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds2

About [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine

[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine (PubChem CID 120772403) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
PubChem CID120772403
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-16(11-17)9-10-18(12-16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15H,4,6,8-12,17H2,1H3
InChIKeyHRHCRNBJKJPSCE-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 115303980
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxylic acid
CID 65069110
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
4-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazaspiro[5.5]undecane
CID 64952967
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 112630332
1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 70273162
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine (CID 120772403) is [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine is CC1(CN)CCN(C2CCCc3ccccc32)C1.
What is the InChIKey of [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is HRHCRNBJKJPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-16(11-17)9-10-18(12-16)15-8-4-6-13-5-2-3-7-14(13)15/h2-3,5,7,15H,4,6,8-12,17H2,1H3.
What are the key properties of [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine?
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 244.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120772403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).