1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine

C8H13N3 — CID 66201526

IUPAC1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
SMILESNc1nc2c([nH]1)CCCCC2
InChIInChI=1S/C8H13N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H3,9,10,11)
InChIKeyIXJHDTATYNAQIZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.26
Rot. Bonds

About 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine

1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine (PubChem CID 66201526) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
PubChem CID66201526
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
SMILESNc1nc2c([nH]1)CCCCC2
InChIInChI=1S/C8H13N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H3,9,10,11)
InChIKeyIXJHDTATYNAQIZ-UHFFFAOYSA-N
XLogP1.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine?
The IUPAC name of 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine (CID 66201526) is 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine.
What is the SMILES notation for 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine?
The canonical SMILES for 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine is Nc1nc2c([nH]1)CCCCC2.
What is the InChIKey of 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine?
The InChIKey is IXJHDTATYNAQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H3,9,10,11).
What are the key properties of 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine?
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine has a molecular weight of 151.21 g/mol, XLogP of 1.26, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine is sourced from PubChem (CID 66201526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).