4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

C14H23N — CID 126657608

IUPAC4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)NC1=CCC(C(C)(C)C)C=C1C
InChIInChI=1S/C14H23N/c1-10(2)15-13-8-7-12(9-11(13)3)14(4,5)6/h8-9,12,15H,1,7H2,2-6H3
InChIKeyFZXKNXPYHBINHG-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.01
Rot. Bonds2

About 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine

4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (PubChem CID 126657608) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
PubChem CID126657608
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
SMILESC=C(C)NC1=CCC(C(C)(C)C)C=C1C
InChIInChI=1S/C14H23N/c1-10(2)15-13-8-7-12(9-11(13)3)14(4,5)6/h8-9,12,15H,1,7H2,2-6H3
InChIKeyFZXKNXPYHBINHG-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine (CID 126657608) is 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is C=C(C)NC1=CCC(C(C)(C)C)C=C1C.
What is the InChIKey of 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is FZXKNXPYHBINHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)15-13-8-7-12(9-11(13)3)14(4,5)6/h8-9,12,15H,1,7H2,2-6H3.
What are the key properties of 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine?
4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 205.34 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methyl-N-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 126657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).