1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine

C17H28N4 — CID 103278643

IUPAC1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
SMILESCC(C)(C)C1CCc2nc(N3CCC(N)CC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-17(2,3)13-4-5-15-12(10-13)11-19-16(20-15)21-8-6-14(18)7-9-21/h11,13-14H,4-10,18H2,1-3H3
InChIKeyJQNZSOSBAFGEBO-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.56
Rot. Bonds1

About 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine

1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine (PubChem CID 103278643) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
PubChem CID103278643
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine
SMILESCC(C)(C)C1CCc2nc(N3CCC(N)CC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-17(2,3)13-4-5-15-12(10-13)11-19-16(20-15)21-8-6-14(18)7-9-21/h11,13-14H,4-10,18H2,1-3H3
InChIKeyJQNZSOSBAFGEBO-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine (CID 103278643) is 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine is CC(C)(C)C1CCc2nc(N3CCC(N)CC3)ncc2C1.
What is the InChIKey of 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine?
The InChIKey is JQNZSOSBAFGEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-17(2,3)13-4-5-15-12(10-13)11-19-16(20-15)21-8-6-14(18)7-9-21/h11,13-14H,4-10,18H2,1-3H3.
What are the key properties of 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine?
1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine has a molecular weight of 288.44 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-amine is sourced from PubChem (CID 103278643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).