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

C16H24N2 — CID 112630332

IUPAC1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-12(17)14-9-10-18(11-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,12,14,16H,4,6,8-11,17H2,1H3
InChIKeyKWWHQYIVCRIDKZ-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.73
Rot. Bonds2

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

1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine (PubChem CID 112630332) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
PubChem CID112630332
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(C2CCCc3ccccc32)C1
InChIInChI=1S/C16H24N2/c1-12(17)14-9-10-18(11-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,12,14,16H,4,6,8-11,17H2,1H3
InChIKeyKWWHQYIVCRIDKZ-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

1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
1-[1-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975778
N-[[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62522961
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
1-[1-(5-bromo-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 113360675
1-[1-(5-chloro-2,3-dihydro-1H-inden-1-yl)pyrrolidin-3-yl]ethanamine
CID 103975645
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
(3R)-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 124778185
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904120
1-[4-(2,3-dihydro-1H-inden-1-yl)morpholin-2-yl]ethanamine
CID 115314989
3,7-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316740

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine (CID 112630332) is 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(C2CCCc3ccccc32)C1.
What is the InChIKey of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
The InChIKey is KWWHQYIVCRIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(17)14-9-10-18(11-14)16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,12,14,16H,4,6,8-11,17H2,1H3.
What are the key properties of 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine?
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine 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 1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 112630332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).