6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H26N2 — CID 91195901

IUPAC6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)NCCc1ccc2c(c1)CCCC2N
InChIInChI=1S/C16H26N2/c1-16(2,3)18-10-9-12-7-8-14-13(11-12)5-4-6-15(14)17/h7-8,11,15,18H,4-6,9-10,17H2,1-3H3
InChIKeyCCPQVCWZHGUHIR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds3

About 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 91195901) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID91195901
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCC(C)(C)NCCc1ccc2c(c1)CCCC2N
InChIInChI=1S/C16H26N2/c1-16(2,3)18-10-9-12-7-8-14-13(11-12)5-4-6-15(14)17/h7-8,11,15,18H,4-6,9-10,17H2,1-3H3
InChIKeyCCPQVCWZHGUHIR-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-N-methyl-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 83816639
2-methyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethyl]propan-2-amine
CID 115104818
2-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]propan-2-amine
CID 64867066
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
(1R)-6-bromo-1,2,3,4-tetrahydronaphthalen-1-amine
CID 71416765
5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid;chloromethane
CID 159655491
6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine;hydrochloride
CID 71757709
1-[(5S)-5-amino-5,6,7,8-tetrahydronaphthalen-2-yl]ethanone
CID 130615296
(1S)-6-ethenyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130914652
(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)carbamic acid
CID 135386697

Frequently Asked Questions

What is the IUPAC name of 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 91195901) is 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CC(C)(C)NCCc1ccc2c(c1)CCCC2N.
What is the InChIKey of 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CCPQVCWZHGUHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)18-10-9-12-7-8-14-13(11-12)5-4-6-15(14)17/h7-8,11,15,18H,4-6,9-10,17H2,1-3H3.
What are the key properties of 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(tert-butylamino)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 91195901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).