3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine

C11H17N3 — CID 138509882

IUPAC3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine
SMILESNC1=NC2CCCC3CCCC(=C32)N1
InChIInChI=1S/C11H17N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyDSXCVBVZZMZEJU-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.51
Rot. Bonds

About 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine

3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine (PubChem CID 138509882) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine.

Molecular Properties

Compound Name3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine
PubChem CID138509882
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine
SMILESNC1=NC2CCCC3CCCC(=C32)N1
InChIInChI=1S/C11H17N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyDSXCVBVZZMZEJU-UHFFFAOYSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine?
The IUPAC name of 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine (CID 138509882) is 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine.
What is the SMILES notation for 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine?
The canonical SMILES for 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine is NC1=NC2CCCC3CCCC(=C32)N1.
What is the InChIKey of 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine?
The InChIKey is DSXCVBVZZMZEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-11-13-8-5-1-3-7-4-2-6-9(14-11)10(7)8/h7-8H,1-6H2,(H3,12,13,14).
What are the key properties of 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine?
3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine has a molecular weight of 191.28 g/mol, XLogP of 1.51, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,6,6a,7,8,9-octahydro-1H-perimidin-2-amine is sourced from PubChem (CID 138509882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).