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

C10H17N3 — CID 89280993

IUPAC5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine
SMILESNC1=C(N)CC(N2CCCC2)C=C1
InChIInChI=1S/C10H17N3/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,8H,1-2,5-7,11-12H2
InChIKeyIQAADRVCDDMFQV-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.54
Rot. Bonds1

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

5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 89280993) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine
PubChem CID89280993
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine
SMILESNC1=C(N)CC(N2CCCC2)C=C1
InChIInChI=1S/C10H17N3/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,8H,1-2,5-7,11-12H2
InChIKeyIQAADRVCDDMFQV-UHFFFAOYSA-N
XLogP0.54
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine (CID 89280993) is 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine is NC1=C(N)CC(N2CCCC2)C=C1.
What is the InChIKey of 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is IQAADRVCDDMFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-9-4-3-8(7-10(9)12)13-5-1-2-6-13/h3-4,8H,1-2,5-7,11-12H2.
What are the key properties of 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine?
5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 89280993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).