(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

C11H17N3 — CID 81423082

IUPAC(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCCc1ncc2c(n1)CCC(CN)C2
InChIInChI=1S/C11H17N3/c1-2-11-13-7-9-5-8(6-12)3-4-10(9)14-11/h7-8H,2-6,12H2,1H3
InChIKeyMGTVVDAHPSNTJH-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.10
Rot. Bonds2

About (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (PubChem CID 81423082) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
PubChem CID81423082
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCCc1ncc2c(n1)CCC(CN)C2
InChIInChI=1S/C11H17N3/c1-2-11-13-7-9-5-8(6-12)3-4-10(9)14-11/h7-8H,2-6,12H2,1H3
InChIKeyMGTVVDAHPSNTJH-UHFFFAOYSA-N
XLogP1.10
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The IUPAC name of (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (CID 81423082) is (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.
What is the SMILES notation for (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The canonical SMILES for (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is CCc1ncc2c(n1)CCC(CN)C2.
What is the InChIKey of (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The InChIKey is MGTVVDAHPSNTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-11-13-7-9-5-8(6-12)3-4-10(9)14-11/h7-8H,2-6,12H2,1H3.
What are the key properties of (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is sourced from PubChem (CID 81423082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).