N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

C15H25N3 — CID 81425196

IUPACN-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)C)nc(C)c2C1
InChIInChI=1S/C15H25N3/c1-5-16-9-12-6-7-14-13(8-12)11(4)17-15(18-14)10(2)3/h10,12,16H,5-9H2,1-4H3
InChIKeyXTVNAMSUYJFRDU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.62
Rot. Bonds4

About N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (PubChem CID 81425196) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
PubChem CID81425196
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)C)nc(C)c2C1
InChIInChI=1S/C15H25N3/c1-5-16-9-12-6-7-14-13(8-12)11(4)17-15(18-14)10(2)3/h10,12,16H,5-9H2,1-4H3
InChIKeyXTVNAMSUYJFRDU-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (CID 81425196) is N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is CCNCC1CCc2nc(C(C)C)nc(C)c2C1.
What is the InChIKey of N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The InChIKey is XTVNAMSUYJFRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-16-9-12-6-7-14-13(8-12)11(4)17-15(18-14)10(2)3/h10,12,16H,5-9H2,1-4H3.
What are the key properties of N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine has a molecular weight of 247.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81425196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).