N-tert-butylcyclohexa-2,5-dien-1-amine

C10H17N — CID 45103373

IUPACN-tert-butylcyclohexa-2,5-dien-1-amine
SMILESCC(C)(C)NC1C=CCC=C1
InChIInChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h5-9,11H,4H2,1-3H3
InChIKeyCQQZQUQHSZOQSS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds1

About N-tert-butylcyclohexa-2,5-dien-1-amine

N-tert-butylcyclohexa-2,5-dien-1-amine (PubChem CID 45103373) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-tert-butylcyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound NameN-tert-butylcyclohexa-2,5-dien-1-amine
PubChem CID45103373
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-tert-butylcyclohexa-2,5-dien-1-amine
SMILESCC(C)(C)NC1C=CCC=C1
InChIInChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h5-9,11H,4H2,1-3H3
InChIKeyCQQZQUQHSZOQSS-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexa-2,5-dien-1-amine?
The IUPAC name of N-tert-butylcyclohexa-2,5-dien-1-amine (CID 45103373) is N-tert-butylcyclohexa-2,5-dien-1-amine.
What is the SMILES notation for N-tert-butylcyclohexa-2,5-dien-1-amine?
The canonical SMILES for N-tert-butylcyclohexa-2,5-dien-1-amine is CC(C)(C)NC1C=CCC=C1.
What is the InChIKey of N-tert-butylcyclohexa-2,5-dien-1-amine?
The InChIKey is CQQZQUQHSZOQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h5-9,11H,4H2,1-3H3.
What are the key properties of N-tert-butylcyclohexa-2,5-dien-1-amine?
N-tert-butylcyclohexa-2,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 45103373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).