N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine

C20H21N — CID 59524011

IUPACN-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine
SMILESC1=CC2=C(NC3C=CC4=C(CCC=C4)C3)C=CCC2C=C1
InChIInChI=1S/C20H21N/c1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20/h1,3-7,10-13,16,18,21H,2,8-9,14H2
InChIKeyRTCYSFOXRFYUJB-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.51
Rot. Bonds2

About N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine

N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine (PubChem CID 59524011) has the molecular formula C20H21N and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine
PubChem CID59524011
Molecular FormulaC20H21N
Molecular Weight275.39 g/mol
Exact Mass275.17
IUPAC NameN-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine
SMILESC1=CC2=C(NC3C=CC4=C(CCC=C4)C3)C=CCC2C=C1
InChIInChI=1S/C20H21N/c1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20/h1,3-7,10-13,16,18,21H,2,8-9,14H2
InChIKeyRTCYSFOXRFYUJB-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine?
The IUPAC name of N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine (CID 59524011) is N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine.
What is the SMILES notation for N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine?
The canonical SMILES for N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine is C1=CC2=C(NC3C=CC4=C(CCC=C4)C3)C=CCC2C=C1.
What is the InChIKey of N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine?
The InChIKey is RTCYSFOXRFYUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-2-8-17-14-18(13-12-15(17)6-1)21-20-11-5-9-16-7-3-4-10-19(16)20/h1,3-7,10-13,16,18,21H,2,8-9,14H2.
What are the key properties of N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine?
N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,7,8-tetrahydronaphthalen-2-yl)-4,4a-dihydronaphthalen-1-amine is sourced from PubChem (CID 59524011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).