1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine

C11H13N3 — CID 151775443

IUPAC1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine
SMILESNC1=CC=CC(N)(c2ccccn2)C1
InChIInChI=1S/C11H13N3/c12-9-4-3-6-11(13,8-9)10-5-1-2-7-14-10/h1-7H,8,12-13H2
InChIKeyRTMHXHRGXRYVIP-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.04
Rot. Bonds1

About 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine

1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 151775443) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine
PubChem CID151775443
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine
SMILESNC1=CC=CC(N)(c2ccccn2)C1
InChIInChI=1S/C11H13N3/c12-9-4-3-6-11(13,8-9)10-5-1-2-7-14-10/h1-7H,8,12-13H2
InChIKeyRTMHXHRGXRYVIP-UHFFFAOYSA-N
XLogP1.04
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine (CID 151775443) is 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine is NC1=CC=CC(N)(c2ccccn2)C1.
What is the InChIKey of 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is RTMHXHRGXRYVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c12-9-4-3-6-11(13,8-9)10-5-1-2-7-14-10/h1-7H,8,12-13H2.
What are the key properties of 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine?
1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 187.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 151775443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).