1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine

C13H22N2 — CID 100978369

IUPAC1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine
SMILESCC(C)NC1=C(NC(C)C)CC=CC=C1
InChIInChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyBJINPPIIVJJOIF-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.71
Rot. Bonds4

About 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine

1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine (PubChem CID 100978369) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine
PubChem CID100978369
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine
SMILESCC(C)NC1=C(NC(C)C)CC=CC=C1
InChIInChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,14-15H,9H2,1-4H3
InChIKeyBJINPPIIVJJOIF-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine?
The IUPAC name of 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine (CID 100978369) is 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine?
The canonical SMILES for 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine is CC(C)NC1=C(NC(C)C)CC=CC=C1.
What is the InChIKey of 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine?
The InChIKey is BJINPPIIVJJOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-8,10-11,14-15H,9H2,1-4H3.
What are the key properties of 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine?
1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-di(propan-2-yl)cyclohepta-1,3,5-triene-1,2-diamine is sourced from PubChem (CID 100978369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).