4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine

C9H16N2 — CID 146506417

IUPAC4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
SMILESCC(C)C1=C(N)C=C(N)CC1
InChIInChI=1S/C9H16N2/c1-6(2)8-4-3-7(10)5-9(8)11/h5-6H,3-4,10-11H2,1-2H3
InChIKeyIIIIIRQGLVCAPJ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.49
Rot. Bonds1

About 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine

4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine (PubChem CID 146506417) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
PubChem CID146506417
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine
SMILESCC(C)C1=C(N)C=C(N)CC1
InChIInChI=1S/C9H16N2/c1-6(2)8-4-3-7(10)5-9(8)11/h5-6H,3-4,10-11H2,1-2H3
InChIKeyIIIIIRQGLVCAPJ-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The IUPAC name of 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine (CID 146506417) is 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine.
What is the SMILES notation for 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The canonical SMILES for 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine is CC(C)C1=C(N)C=C(N)CC1.
What is the InChIKey of 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
The InChIKey is IIIIIRQGLVCAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6(2)8-4-3-7(10)5-9(8)11/h5-6H,3-4,10-11H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine?
4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohexa-1,3-diene-1,3-diamine is sourced from PubChem (CID 146506417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).