6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H26N2O — CID 173179416

IUPAC6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(NC(C)C)c1ccc2c(c1)CCCC2C(N)=O
InChIInChI=1S/C17H26N2O/c1-4-16(19-11(2)3)13-8-9-14-12(10-13)6-5-7-15(14)17(18)20/h8-11,15-16,19H,4-7H2,1-3H3,(H2,18,20)
InChIKeyFUNRZEFDDVJVOS-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.04
Rot. Bonds5

About 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 173179416) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID173179416
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCCC(NC(C)C)c1ccc2c(c1)CCCC2C(N)=O
InChIInChI=1S/C17H26N2O/c1-4-16(19-11(2)3)13-8-9-14-12(10-13)6-5-7-15(14)17(18)20/h8-11,15-16,19H,4-7H2,1-3H3,(H2,18,20)
InChIKeyFUNRZEFDDVJVOS-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 173179416) is 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCC(NC(C)C)c1ccc2c(c1)CCCC2C(N)=O.
What is the InChIKey of 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is FUNRZEFDDVJVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-16(19-11(2)3)13-8-9-14-12(10-13)6-5-7-15(14)17(18)20/h8-11,15-16,19H,4-7H2,1-3H3,(H2,18,20).
What are the key properties of 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(propan-2-ylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 173179416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).