N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C15H22N2 — CID 143330144

IUPACN-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc2c(c1)CCCC2NC[C@@H]1CCCN1
InChIInChI=1S/C15H22N2/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16-13/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15?/m0/s1
InChIKeyWQKPONNJNDISGY-CFMCSPIPSA-N
MW230.36 g/mol
LogP2.41
Rot. Bonds3

About N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 143330144) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID143330144
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESc1ccc2c(c1)CCCC2NC[C@@H]1CCCN1
InChIInChI=1S/C15H22N2/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16-13/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15?/m0/s1
InChIKeyWQKPONNJNDISGY-CFMCSPIPSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43370921
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43225200
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
5-[(2,3-dihydro-1H-inden-1-ylamino)methyl]pyrrolidin-2-one
CID 60727404
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]cyclohexan-1-ol
CID 106126377
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
N-(thian-2-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 80595613
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)piperidine
CID 54943160
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 143330144) is N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is c1ccc2c(c1)CCCC2NC[C@@H]1CCCN1.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WQKPONNJNDISGY-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-8-14-12(5-1)6-3-9-15(14)17-11-13-7-4-10-16-13/h1-2,5,8,13,15-17H,3-4,6-7,9-11H2/t13-,15?/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 230.36 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 143330144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).