4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine

C9H16N2 — CID 66589671

IUPAC4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)C1(N)C=CC(N)=CC1
InChIInChI=1S/C9H16N2/c1-7(2)9(11)5-3-8(10)4-6-9/h3-5,7H,6,10-11H2,1-2H3
InChIKeyNQJDFBKHPQIYLF-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.14
Rot. Bonds1

About 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine

4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 66589671) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine
PubChem CID66589671
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine
SMILESCC(C)C1(N)C=CC(N)=CC1
InChIInChI=1S/C9H16N2/c1-7(2)9(11)5-3-8(10)4-6-9/h3-5,7H,6,10-11H2,1-2H3
InChIKeyNQJDFBKHPQIYLF-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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-1,5-diene-1,4-diamine?
The IUPAC name of 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine (CID 66589671) is 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine is CC(C)C1(N)C=CC(N)=CC1.
What is the InChIKey of 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is NQJDFBKHPQIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(11)5-3-8(10)4-6-9/h3-5,7H,6,10-11H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine?
4-propan-2-ylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 152.24 g/mol, XLogP of 1.14, 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-1,5-diene-1,4-diamine is sourced from PubChem (CID 66589671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).