3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine

C8H15N3 — CID 154977050

IUPAC3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine
SMILESNC1CN2CCCCCC2=N1
InChIInChI=1S/C8H15N3/c9-7-6-11-5-3-1-2-4-8(11)10-7/h7H,1-6,9H2
InChIKeyIZXCZMZFTGOWQC-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.56
Rot. Bonds

About 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine

3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine (PubChem CID 154977050) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine.

Molecular Properties

Compound Name3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine
PubChem CID154977050
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine
SMILESNC1CN2CCCCCC2=N1
InChIInChI=1S/C8H15N3/c9-7-6-11-5-3-1-2-4-8(11)10-7/h7H,1-6,9H2
InChIKeyIZXCZMZFTGOWQC-UHFFFAOYSA-N
XLogP0.56
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine?
The IUPAC name of 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine (CID 154977050) is 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine.
What is the SMILES notation for 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine?
The canonical SMILES for 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine is NC1CN2CCCCCC2=N1.
What is the InChIKey of 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine?
The InChIKey is IZXCZMZFTGOWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c9-7-6-11-5-3-1-2-4-8(11)10-7/h7H,1-6,9H2.
What are the key properties of 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine?
3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,7,8,9-hexahydro-2H-imidazo[1,2-a]azepin-2-amine is sourced from PubChem (CID 154977050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).