N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine

C14H18N2 — CID 2998423

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc2c(c1)CCCC2NC1=NCCC1
InChIInChI=1S/C14H18N2/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-9-4-10-15-14/h1-2,5,7,13H,3-4,6,8-10H2,(H,15,16)
InChIKeyIALPEKOPXUFVIF-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.85
Rot. Bonds1

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2998423) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2998423
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine
SMILESc1ccc2c(c1)CCCC2NC1=NCCC1
InChIInChI=1S/C14H18N2/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-9-4-10-15-14/h1-2,5,7,13H,3-4,6,8-10H2,(H,15,16)
InChIKeyIALPEKOPXUFVIF-UHFFFAOYSA-N
XLogP2.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5419
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2H-Azepin-7-amine, 3,4,5,6-tetrahydro-N-(phenylmethyl)-
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1H-Imidazole, 4,5-dihydro-2-(2-methylphenyl)-
CID 10057802
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
CID 11294314
(4R,5S)-4,5-diphenyl-2-(3-phenylpropyl)-4,5-dihydro-1H-imidazole
CID 11442400
(4R,5S)-2-[(2-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388935
(4R,5S)-2-[2-(2-methylphenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44389013

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine (CID 2998423) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine is c1ccc2c(c1)CCCC2NC1=NCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is IALPEKOPXUFVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-7-12-11(5-1)6-3-8-13(12)16-14-9-4-10-15-14/h1-2,5,7,13H,3-4,6,8-10H2,(H,15,16).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 214.31 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2998423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).