N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine

C13H20N2 — CID 777099

IUPACN-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine
SMILESCC(C)/N=c1\cccccc1NC(C)C
InChIInChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3,(H,14,15)
InChIKeyAELLFKPPLQHPRV-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.82
Rot. Bonds3

About N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine

N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine (PubChem CID 777099) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine
PubChem CID777099
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine
SMILESCC(C)/N=c1\cccccc1NC(C)C
InChIInChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3,(H,14,15)
InChIKeyAELLFKPPLQHPRV-UHFFFAOYSA-N
XLogP2.82
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine?
The IUPAC name of N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine (CID 777099) is N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine is CC(C)/N=c1\cccccc1NC(C)C.
What is the InChIKey of N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine?
The InChIKey is AELLFKPPLQHPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4/h5-11H,1-4H3,(H,14,15).
What are the key properties of N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine?
N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 777099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).