N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine

C11H17N3 — CID 137428301

IUPACN-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
SMILESCCNC1N=CNC2=CC=C(C)CC21
InChIInChI=1S/C11H17N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9,11-12H,3,6H2,1-2H3,(H,13,14)
InChIKeyXSJZRCBPRONJPW-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.40
Rot. Bonds2

About N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine

N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine (PubChem CID 137428301) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
PubChem CID137428301
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine
SMILESCCNC1N=CNC2=CC=C(C)CC21
InChIInChI=1S/C11H17N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9,11-12H,3,6H2,1-2H3,(H,13,14)
InChIKeyXSJZRCBPRONJPW-UHFFFAOYSA-N
XLogP1.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine (CID 137428301) is N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine is CCNC1N=CNC2=CC=C(C)CC21.
What is the InChIKey of N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine?
The InChIKey is XSJZRCBPRONJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-12-11-9-6-8(2)4-5-10(9)13-7-14-11/h4-5,7,9,11-12H,3,6H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine?
N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine has a molecular weight of 191.28 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-1,4,4a,5-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 137428301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).