N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine

C17H28N4 — CID 81425763

IUPACN-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-13(2)18-11-14-6-7-16-15(10-14)12-19-17(20-16)21-8-4-3-5-9-21/h12-14,18H,3-11H2,1-2H3
InChIKeyCHCXFLMDBUXYMB-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.57
Rot. Bonds4

About N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine

N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine (PubChem CID 81425763) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine
PubChem CID81425763
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine
SMILESCC(C)NCC1CCc2nc(N3CCCCC3)ncc2C1
InChIInChI=1S/C17H28N4/c1-13(2)18-11-14-6-7-16-15(10-14)12-19-17(20-16)21-8-4-3-5-9-21/h12-14,18H,3-11H2,1-2H3
InChIKeyCHCXFLMDBUXYMB-UHFFFAOYSA-N
XLogP2.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine (CID 81425763) is N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine is CC(C)NCC1CCc2nc(N3CCCCC3)ncc2C1.
What is the InChIKey of N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine?
The InChIKey is CHCXFLMDBUXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-13(2)18-11-14-6-7-16-15(10-14)12-19-17(20-16)21-8-4-3-5-9-21/h12-14,18H,3-11H2,1-2H3.
What are the key properties of N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine?
N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine has a molecular weight of 288.44 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine is sourced from PubChem (CID 81425763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).