N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine

C18H29N3 — CID 81424994

IUPACN-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CCC2)nc2c1CC(CNCC(C)C)CC2
InChIInChI=1S/C18H29N3/c1-12(2)10-19-11-14-7-8-17-16(9-14)13(3)20-18(21-17)15-5-4-6-15/h12,14-15,19H,4-11H2,1-3H3
InChIKeySOMKETUXWFDSGH-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.40
Rot. Bonds5

About N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine

N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (PubChem CID 81424994) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
PubChem CID81424994
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCc1nc(C2CCC2)nc2c1CC(CNCC(C)C)CC2
InChIInChI=1S/C18H29N3/c1-12(2)10-19-11-14-7-8-17-16(9-14)13(3)20-18(21-17)15-5-4-6-15/h12,14-15,19H,4-11H2,1-3H3
InChIKeySOMKETUXWFDSGH-UHFFFAOYSA-N
XLogP3.40
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (CID 81424994) is N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is Cc1nc(C2CCC2)nc2c1CC(CNCC(C)C)CC2.
What is the InChIKey of N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SOMKETUXWFDSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-12(2)10-19-11-14-7-8-17-16(9-14)13(3)20-18(21-17)15-5-4-6-15/h12,14-15,19H,4-11H2,1-3H3.
What are the key properties of N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81424994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).