N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine

C16H25N3 — CID 81425998

IUPACN-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C16H25N3/c1-16(2,3)18-9-11-4-7-14-13(8-11)10-17-15(19-14)12-5-6-12/h10-12,18H,4-9H2,1-3H3
InChIKeyRDFWUZJLFYOSDU-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.85
Rot. Bonds3

About N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine

N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine (PubChem CID 81425998) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
PubChem CID81425998
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCc2nc(C3CC3)ncc2C1
InChIInChI=1S/C16H25N3/c1-16(2,3)18-9-11-4-7-14-13(8-11)10-17-15(19-14)12-5-6-12/h10-12,18H,4-9H2,1-3H3
InChIKeyRDFWUZJLFYOSDU-UHFFFAOYSA-N
XLogP2.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine (CID 81425998) is N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCc2nc(C3CC3)ncc2C1.
What is the InChIKey of N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RDFWUZJLFYOSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-16(2,3)18-9-11-4-7-14-13(8-11)10-17-15(19-14)12-5-6-12/h10-12,18H,4-9H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine?
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 259.40 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81425998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).