6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one

C16H30N2O — CID 114459953

IUPAC6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-13(7-10-17)5-6-15(19)18-11-8-14(9-12-18)16(2,3)4/h8,13H,5-7,9-12,17H2,1-4H3
InChIKeyQDGKIIBWCBCXFH-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.96
Rot. Bonds5

About 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one

6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one (PubChem CID 114459953) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one.

Molecular Properties

Compound Name6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
PubChem CID114459953
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one
SMILESCC(CCN)CCC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-13(7-10-17)5-6-15(19)18-11-8-14(9-12-18)16(2,3)4/h8,13H,5-7,9-12,17H2,1-4H3
InChIKeyQDGKIIBWCBCXFH-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The IUPAC name of 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one (CID 114459953) is 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one.
What is the SMILES notation for 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The canonical SMILES for 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one is CC(CCN)CCC(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
The InChIKey is QDGKIIBWCBCXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(7-10-17)5-6-15(19)18-11-8-14(9-12-18)16(2,3)4/h8,13H,5-7,9-12,17H2,1-4H3.
What are the key properties of 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one?
6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-4-methylhexan-1-one is sourced from PubChem (CID 114459953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).