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

C17H29N3 — CID 103030799

IUPAC1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C17H29N3/c1-20-16(10-11-19-20)8-9-17(18)15-7-6-13-4-2-3-5-14(13)12-15/h10-11,13-15,17H,2-9,12,18H2,1H3
InChIKeyUYFMBBRJXZNOBV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.29
Rot. Bonds4

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

1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103030799) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103030799
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCn1nccc1CCC(N)C1CCC2CCCCC2C1
InChIInChI=1S/C17H29N3/c1-20-16(10-11-19-20)8-9-17(18)15-7-6-13-4-2-3-5-14(13)12-15/h10-11,13-15,17H,2-9,12,18H2,1H3
InChIKeyUYFMBBRJXZNOBV-UHFFFAOYSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103030799) is 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine is Cn1nccc1CCC(N)C1CCC2CCCCC2C1.
What is the InChIKey of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is UYFMBBRJXZNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-20-16(10-11-19-20)8-9-17(18)15-7-6-13-4-2-3-5-14(13)12-15/h10-11,13-15,17H,2-9,12,18H2,1H3.
What are the key properties of 1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 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)-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103030799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).