2-tert-butylcyclohepta-1,3-dien-1-amine

C11H19N — CID 167284085

IUPAC2-tert-butylcyclohepta-1,3-dien-1-amine
SMILESCC(C)(C)C1=C(N)CCCC=C1
InChIInChI=1S/C11H19N/c1-11(2,3)9-7-5-4-6-8-10(9)12/h5,7H,4,6,8,12H2,1-3H3
InChIKeyNCPQRDZDSDXCMR-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.99
Rot. Bonds

About 2-tert-butylcyclohepta-1,3-dien-1-amine

2-tert-butylcyclohepta-1,3-dien-1-amine (PubChem CID 167284085) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-tert-butylcyclohepta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-tert-butylcyclohepta-1,3-dien-1-amine
PubChem CID167284085
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-tert-butylcyclohepta-1,3-dien-1-amine
SMILESCC(C)(C)C1=C(N)CCCC=C1
InChIInChI=1S/C11H19N/c1-11(2,3)9-7-5-4-6-8-10(9)12/h5,7H,4,6,8,12H2,1-3H3
InChIKeyNCPQRDZDSDXCMR-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butylcyclohepta-1,3-dien-1-amine?
The IUPAC name of 2-tert-butylcyclohepta-1,3-dien-1-amine (CID 167284085) is 2-tert-butylcyclohepta-1,3-dien-1-amine.
What is the SMILES notation for 2-tert-butylcyclohepta-1,3-dien-1-amine?
The canonical SMILES for 2-tert-butylcyclohepta-1,3-dien-1-amine is CC(C)(C)C1=C(N)CCCC=C1.
What is the InChIKey of 2-tert-butylcyclohepta-1,3-dien-1-amine?
The InChIKey is NCPQRDZDSDXCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-11(2,3)9-7-5-4-6-8-10(9)12/h5,7H,4,6,8,12H2,1-3H3.
What are the key properties of 2-tert-butylcyclohepta-1,3-dien-1-amine?
2-tert-butylcyclohepta-1,3-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclohepta-1,3-dien-1-amine is sourced from PubChem (CID 167284085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).