1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

C17H30N4 — CID 104999743

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N4/c1-12(2)21-17(19-11-20-21)10-16(18)15-8-7-13-5-3-4-6-14(13)9-15/h11-16H,3-10,18H2,1-2H3
InChIKeyFTXASJIOPKJPEZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.34
Rot. Bonds4

About 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (PubChem CID 104999743) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
PubChem CID104999743
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
SMILESCC(C)n1ncnc1CC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C17H30N4/c1-12(2)21-17(19-11-20-21)10-16(18)15-8-7-13-5-3-4-6-14(13)9-15/h11-16H,3-10,18H2,1-2H3
InChIKeyFTXASJIOPKJPEZ-UHFFFAOYSA-N
XLogP3.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine (CID 104999743) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is CC(C)n1ncnc1CC(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
The InChIKey is FTXASJIOPKJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-12(2)21-17(19-11-20-21)10-16(18)15-8-7-13-5-3-4-6-14(13)9-15/h11-16H,3-10,18H2,1-2H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine is sourced from PubChem (CID 104999743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).