1-tert-butylcyclohexa-2,4-dien-1-amine

C10H17N — CID 150805435

IUPAC1-tert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1(N)C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7H,8,11H2,1-3H3
InChIKeyKGTNPODRRMLUGL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds

About 1-tert-butylcyclohexa-2,4-dien-1-amine

1-tert-butylcyclohexa-2,4-dien-1-amine (PubChem CID 150805435) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-tert-butylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1-tert-butylcyclohexa-2,4-dien-1-amine
PubChem CID150805435
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-tert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1(N)C=CC=CC1
InChIInChI=1S/C10H17N/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7H,8,11H2,1-3H3
InChIKeyKGTNPODRRMLUGL-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1-tert-butylcyclohexa-2,4-dien-1-amine (CID 150805435) is 1-tert-butylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1-tert-butylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1-tert-butylcyclohexa-2,4-dien-1-amine is CC(C)(C)C1(N)C=CC=CC1.
What is the InChIKey of 1-tert-butylcyclohexa-2,4-dien-1-amine?
The InChIKey is KGTNPODRRMLUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2,3)10(11)7-5-4-6-8-10/h4-7H,8,11H2,1-3H3.
What are the key properties of 1-tert-butylcyclohexa-2,4-dien-1-amine?
1-tert-butylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 150805435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).