1,3a,4,9b-tetrahydroperimidin-2-amine

C11H11N3 — CID 176531881

IUPAC1,3a,4,9b-tetrahydroperimidin-2-amine
SMILESNC1=NC2CC=C=C3C=CC=C(N1)C32
InChIInChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-3,5,9-10H,6H2,(H3,12,13,14)
InChIKeyAVQZRJPFBRCJCU-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.83
Rot. Bonds

About 1,3a,4,9b-tetrahydroperimidin-2-amine

1,3a,4,9b-tetrahydroperimidin-2-amine (PubChem CID 176531881) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1,3a,4,9b-tetrahydroperimidin-2-amine.

Molecular Properties

Compound Name1,3a,4,9b-tetrahydroperimidin-2-amine
PubChem CID176531881
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name1,3a,4,9b-tetrahydroperimidin-2-amine
SMILESNC1=NC2CC=C=C3C=CC=C(N1)C32
InChIInChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-3,5,9-10H,6H2,(H3,12,13,14)
InChIKeyAVQZRJPFBRCJCU-UHFFFAOYSA-N
XLogP0.83
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,3a,4,9b-tetrahydroperimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hexahydro-2(1H)-chinazolinimine
CID 129630045
N-(hexahydroquinazolin-2(1h)-ylidene)cyanamide
CID 171115230
3a,9,9a,9b-tetrahydro-1H-perimidin-2-amine
CID 89636855
3-Propyl-5,6,6a,7-tetrahydroperimidin-2-amine
CID 89636909
4-Methylidene-7-propan-2-yl-3,7a-dihydrocyclopenta[d]pyrimidin-2-amine
CID 118446168
3a,7,8,9-tetrahydro-1H-perimidin-2-amine
CID 163884016

Frequently Asked Questions

What is the IUPAC name of 1,3a,4,9b-tetrahydroperimidin-2-amine?
The IUPAC name of 1,3a,4,9b-tetrahydroperimidin-2-amine (CID 176531881) is 1,3a,4,9b-tetrahydroperimidin-2-amine.
What is the SMILES notation for 1,3a,4,9b-tetrahydroperimidin-2-amine?
The canonical SMILES for 1,3a,4,9b-tetrahydroperimidin-2-amine is NC1=NC2CC=C=C3C=CC=C(N1)C32.
What is the InChIKey of 1,3a,4,9b-tetrahydroperimidin-2-amine?
The InChIKey is AVQZRJPFBRCJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1-3,5,9-10H,6H2,(H3,12,13,14).
What are the key properties of 1,3a,4,9b-tetrahydroperimidin-2-amine?
1,3a,4,9b-tetrahydroperimidin-2-amine has a molecular weight of 185.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,9b-tetrahydroperimidin-2-amine is sourced from PubChem (CID 176531881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).