2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3 — CID 62191560

IUPAC2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCCCC2)nc2c1CCCC2
InChIInChI=1S/C14H21N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h10H,1-9H2,(H2,15,16,17)
InChIKeyJVLLOFGAVDJXRM-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.99
Rot. Bonds1

About 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62191560) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62191560
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(C2CCCCC2)nc2c1CCCC2
InChIInChI=1S/C14H21N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h10H,1-9H2,(H2,15,16,17)
InChIKeyJVLLOFGAVDJXRM-UHFFFAOYSA-N
XLogP2.99
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62191560) is 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(C2CCCCC2)nc2c1CCCC2.
What is the InChIKey of 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is JVLLOFGAVDJXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h10H,1-9H2,(H2,15,16,17).
What are the key properties of 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62191560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).