1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine

C12H16N2 — CID 77181867

IUPAC1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
SMILESNC1CCc2ccc3c(c21)C(N)CC3
InChIInChI=1S/C12H16N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(8)11(7)9/h1-2,9-10H,3-6,13-14H2
InChIKeyXHCFXWDZGUKCCT-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.58
Rot. Bonds

About 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine

1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine (PubChem CID 77181867) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine.

Molecular Properties

Compound Name1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
PubChem CID77181867
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
SMILESNC1CCc2ccc3c(c21)C(N)CC3
InChIInChI=1S/C12H16N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(8)11(7)9/h1-2,9-10H,3-6,13-14H2
InChIKeyXHCFXWDZGUKCCT-UHFFFAOYSA-N
XLogP1.58
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine?
The IUPAC name of 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine (CID 77181867) is 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine.
What is the SMILES notation for 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine?
The canonical SMILES for 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine is NC1CCc2ccc3c(c21)C(N)CC3.
What is the InChIKey of 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine?
The InChIKey is XHCFXWDZGUKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-9-5-3-7-1-2-8-4-6-10(14)12(8)11(7)9/h1-2,9-10H,3-6,13-14H2.
What are the key properties of 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine?
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine has a molecular weight of 188.27 g/mol, XLogP of 1.58, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine is sourced from PubChem (CID 77181867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).