N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

C15H25N3 — CID 81424582

IUPACN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)CC)ncc2C1
InChIInChI=1S/C15H25N3/c1-4-11(3)15-17-10-13-8-12(9-16-5-2)6-7-14(13)18-15/h10-12,16H,4-9H2,1-3H3
InChIKeyGJSJYPBPTYERGP-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.70
Rot. Bonds5

About N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (PubChem CID 81424582) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
PubChem CID81424582
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)CC)ncc2C1
InChIInChI=1S/C15H25N3/c1-4-11(3)15-17-10-13-8-12(9-16-5-2)6-7-14(13)18-15/h10-12,16H,4-9H2,1-3H3
InChIKeyGJSJYPBPTYERGP-UHFFFAOYSA-N
XLogP2.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (CID 81424582) is N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is CCNCC1CCc2nc(C(C)CC)ncc2C1.
What is the InChIKey of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The InChIKey is GJSJYPBPTYERGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-11(3)15-17-10-13-8-12(9-16-5-2)6-7-14(13)18-15/h10-12,16H,4-9H2,1-3H3.
What are the key properties of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81424582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).