3a,7,8,9-tetrahydro-1H-perimidin-2-amine

C11H13N3 — CID 163884016

IUPAC3a,7,8,9-tetrahydro-1H-perimidin-2-amine
SMILESNC1=NC2C=CC=C3CCCC(=C32)N1
InChIInChI=1S/C11H13N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3,5,8H,2,4,6H2,(H3,12,13,14)
InChIKeyPVTKGKTUVWFTLV-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.21
Rot. Bonds

About 3a,7,8,9-tetrahydro-1H-perimidin-2-amine

3a,7,8,9-tetrahydro-1H-perimidin-2-amine (PubChem CID 163884016) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 3a,7,8,9-tetrahydro-1H-perimidin-2-amine.

Molecular Properties

Compound Name3a,7,8,9-tetrahydro-1H-perimidin-2-amine
PubChem CID163884016
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name3a,7,8,9-tetrahydro-1H-perimidin-2-amine
SMILESNC1=NC2C=CC=C3CCCC(=C32)N1
InChIInChI=1S/C11H13N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3,5,8H,2,4,6H2,(H3,12,13,14)
InChIKeyPVTKGKTUVWFTLV-UHFFFAOYSA-N
XLogP1.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1,3,3a,4,5,6,9,9a-octahydroperimidin-2-imine
CID 148192292
8,9-dihydro-1H-perimidin-2-amine
CID 163722852
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine;hydroiodide
CID 173403073
1,3a,4,9b-Tetrahydroperimidin-2-amine
CID 176531881
7-methyl-5,6,6a,10-tetrahydro-1H-pyrido[2,3-h]quinazolin-2-amine
CID 70416977

Frequently Asked Questions

What is the IUPAC name of 3a,7,8,9-tetrahydro-1H-perimidin-2-amine?
The IUPAC name of 3a,7,8,9-tetrahydro-1H-perimidin-2-amine (CID 163884016) is 3a,7,8,9-tetrahydro-1H-perimidin-2-amine.
What is the SMILES notation for 3a,7,8,9-tetrahydro-1H-perimidin-2-amine?
The canonical SMILES for 3a,7,8,9-tetrahydro-1H-perimidin-2-amine is NC1=NC2C=CC=C3CCCC(=C32)N1.
What is the InChIKey of 3a,7,8,9-tetrahydro-1H-perimidin-2-amine?
The InChIKey is PVTKGKTUVWFTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h1,3,5,8H,2,4,6H2,(H3,12,13,14).
What are the key properties of 3a,7,8,9-tetrahydro-1H-perimidin-2-amine?
3a,7,8,9-tetrahydro-1H-perimidin-2-amine has a molecular weight of 187.25 g/mol, XLogP of 1.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,7,8,9-tetrahydro-1H-perimidin-2-amine is sourced from PubChem (CID 163884016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).